Materials Science in Semiconductor Processing最新文献_第4页

Junction less tunnel field-effect transistors (JLTFET): A transformation from design to diagnosis

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-25 DOI: 10.1016/j.mssp.2025.109402

Pavithra S , Ashis Tripathy , Girija Shankar Sahoo , Dusan Losic

Junction-less tunnel field-effect transistors (JLTFET) have emerged as promising candidates for biosensing applications due to their unique characteristic features including compatibility with CMOS technology, high sensitivity, label-free detection, real-time monitoring, low biomolecule concentration detection capabilities and low power consumption. Numerous studies indicate that JLTFET based biosensors requires well-modified immobilization techniques and optimization of surface functionalization processes to enhance the sensor's selectivity and multiplexed detection to generate significant biological signals with minimal non-specific binding. Nevertheless, there is still a significant gap in research to solve the technical issues related to appropriate design structure, fabrication techniques, functionalization, sensitivity with respect to targeted intercellular biological tiny particles, and lower signal-to-noise ratio of JLTFET biosensor. This advancement will allow finding exceptional characteristics of JLTFET biosensor to design an appropriate sensing device for the intracellular measurements and diseases detection. This review presents recent progress in healthcare applications of JLTFET biosensor with focus on widely used fabrication techniques, components, characteristics, effect of structural change on sensitivity, their benefits and limitations. The paper also discusses the impact of AI, current progress, key factors for sensitivity, selectivity and efficiency improvement as well as the challenges, upcoming trends and other perspectives of JLTFET based biosensors.

{"title":"Junction less tunnel field-effect transistors (JLTFET): A transformation from design to diagnosis","authors":"Pavithra S , Ashis Tripathy , Girija Shankar Sahoo , Dusan Losic","doi":"10.1016/j.mssp.2025.109402","DOIUrl":"10.1016/j.mssp.2025.109402","url":null,"abstract":"<div><div>Junction-less tunnel field-effect transistors (JLTFET) have emerged as promising candidates for biosensing applications due to their unique characteristic features including compatibility with CMOS technology, high sensitivity, label-free detection, real-time monitoring, low biomolecule concentration detection capabilities and low power consumption. Numerous studies indicate that JLTFET based biosensors requires well-modified immobilization techniques and optimization of surface functionalization processes to enhance the sensor's selectivity and multiplexed detection to generate significant biological signals with minimal non-specific binding. Nevertheless, there is still a significant gap in research to solve the technical issues related to appropriate design structure, fabrication techniques, functionalization, sensitivity with respect to targeted intercellular biological tiny particles, and lower signal-to-noise ratio of JLTFET biosensor. This advancement will allow finding exceptional characteristics of JLTFET biosensor to design an appropriate sensing device for the intracellular measurements and diseases detection. This review presents recent progress in healthcare applications of JLTFET biosensor with focus on widely used fabrication techniques, components, characteristics, effect of structural change on sensitivity, their benefits and limitations. The paper also discusses the impact of AI, current progress, key factors for sensitivity, selectivity and efficiency improvement as well as the challenges, upcoming trends and other perspectives of JLTFET based biosensors.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109402"},"PeriodicalIF":4.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143478613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enriched upconversion emission and electrical properties of Er3+/Yb3+/Mn: ZnWO4 phosphors for display and anti-counterfeit applications

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-24 DOI: 10.1016/j.mssp.2025.109404

Swagata Chakraborty , Joydip Dutta , Mitesh Chakraborty

The upconverting codoped/tridoped ZnWO₄: Er³⁺/Yb³⁺/Mn materials have been synthesized for structural, electrical and optical studies. The X-ray diffraction (XRD) investigation confirms the highly crystalline monoclinic phase of the prepared material. The elemental mapping indicates complete incorporation of the raw ingredients in the host. Charge transfer band (CTB) is observed between the Mn⁴⁺ and O²⁻ ions in the interval 239–282 nm of the Diffuse Reflectance Spectra (DRS). Some characteristic absorption bands of Mn³⁺ ion due to ⁵E^/ →⁵E^// transition is also observed in the region 806–908 nm of the DRS spectra. We have also reported the Raman and Fourier transform of Infra-red (FTIR) vibrations of the optimized sample in the present investigation. The temperature dependant EPR spectra infers cation vacancies in the host matrix. The XPS study confirms the mixed state of Mn⁴⁺ and Mn³⁺ ion in the host material. The CIE spectra and photometric calculations shows that these high colour purity phosphors may be explored to design cool LEDs. The investigation of electrical parameters advocates display applications in the temperature region 30 °C to 100 °C of the prepared material. The anti-counterfeit application is also demonstrated in the present study.

{"title":"Enriched upconversion emission and electrical properties of Er3+/Yb3+/Mn: ZnWO4 phosphors for display and anti-counterfeit applications","authors":"Swagata Chakraborty , Joydip Dutta , Mitesh Chakraborty","doi":"10.1016/j.mssp.2025.109404","DOIUrl":"10.1016/j.mssp.2025.109404","url":null,"abstract":"<div><div>The upconverting codoped/tridoped ZnWO<sub>4</sub>: Er<sup>3+</sup>/Yb<sup>3+</sup>/Mn materials have been synthesized for structural, electrical and optical studies. The X-ray diffraction (XRD) investigation confirms the highly crystalline monoclinic phase of the prepared material. The elemental mapping indicates complete incorporation of the raw ingredients in the host. Charge transfer band (CTB) is observed between the Mn<sup>4+</sup> and O<sup>2−</sup> ions in the interval 239–282 nm of the Diffuse Reflectance Spectra (DRS). Some characteristic absorption bands of Mn<sup>3+</sup> ion due to <sup>5</sup>E<sup>/</sup> →<sup>5</sup>E<sup>//</sup> transition is also observed in the region 806–908 nm of the DRS spectra. We have also reported the Raman and Fourier transform of Infra-red (FTIR) vibrations of the optimized sample in the present investigation. The temperature dependant EPR spectra infers cation vacancies in the host matrix. The XPS study confirms the mixed state of Mn<sup>4+</sup> and Mn<sup>3+</sup> ion in the host material. The CIE spectra and photometric calculations shows that these high colour purity phosphors may be explored to design cool LEDs. The investigation of electrical parameters advocates display applications in the temperature region 30 °C to 100 °C of the prepared material. The anti-counterfeit application is also demonstrated in the present study.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109404"},"PeriodicalIF":4.2,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

High performance of a vacancy-defected B3C2N3 nanosheets for lithium storage in Li-ion batteries: A first-principles study

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-24 DOI: 10.1016/j.mssp.2025.109411

Rezvan Rahimi , Mohammad Solimannejad

This current study, utilizing DFT calculations, investigates the viability of employing a vacancy-defected B₃C₂N₃ monolayer as an anode material in LIBs. The study delves into the optimized configurations for lithium interaction with vacancy-defected B₃C₂N₃ monolayers (V_B, V_C, and V_N). These configurations exhibit the stability of lithium atoms at the center of the vacancy in the Li-V_B, Li-V_C, and Li-V_N structures, with corresponding adsorption energies of −4.45, −5.76, and −3.56 eV, respectively. The V_C structure demonstrates slightly higher stability in comparison to the V_B and V_N structures. The vacancy-defected B₃C₂N₃ monolayer (V_C) has specifically employed to enhance lithium adsorption and storage capabilities, with the potential to adsorb up to 19 Li atoms. Sequential loading of Li atoms onto the V_C configuration reveals that the V_C structure attains a maximum specific capacity of 1334 mAh/g. An examination of the density of states and band structure indicates that the V_C surface consistently exhibits strong metallic characteristics during the lithiation process. Ab initio molecular dynamics (AIMD) calculations have carried out to assess the thermal stability of the V_C-B₃C₂N₃ monolayer and the 19Li-V_C complex in the NVT ensemble. The outcomes of this study suggest that the vacancy-defected B₃C₂N₃ monolayer shows promise in Li atom storage for potential applications in LIBs.

{"title":"High performance of a vacancy-defected B3C2N3 nanosheets for lithium storage in Li-ion batteries: A first-principles study","authors":"Rezvan Rahimi , Mohammad Solimannejad","doi":"10.1016/j.mssp.2025.109411","DOIUrl":"10.1016/j.mssp.2025.109411","url":null,"abstract":"<div><div>This current study, utilizing DFT calculations, investigates the viability of employing a vacancy-defected B<sub>3</sub>C<sub>2</sub>N<sub>3</sub> monolayer as an anode material in LIBs. The study delves into the optimized configurations for lithium interaction with vacancy-defected B<sub>3</sub>C<sub>2</sub>N<sub>3</sub> monolayers (V<sub>B</sub>, V<sub>C</sub>, and V<sub>N</sub>). These configurations exhibit the stability of lithium atoms at the center of the vacancy in the Li-V<sub>B</sub>, Li-V<sub>C</sub>, and Li-V<sub>N</sub> structures, with corresponding adsorption energies of −4.45, −5.76, and −3.56 eV, respectively. The V<sub>C</sub> structure demonstrates slightly higher stability in comparison to the V<sub>B</sub> and V<sub>N</sub> structures. The vacancy-defected B<sub>3</sub>C<sub>2</sub>N<sub>3</sub> monolayer (V<sub>C</sub>) has specifically employed to enhance lithium adsorption and storage capabilities, with the potential to adsorb up to 19 Li atoms. Sequential loading of Li atoms onto the V<sub>C</sub> configuration reveals that the V<sub>C</sub> structure attains a maximum specific capacity of 1334 mAh/g. An examination of the density of states and band structure indicates that the V<sub>C</sub> surface consistently exhibits strong metallic characteristics during the lithiation process. Ab initio molecular dynamics (AIMD) calculations have carried out to assess the thermal stability of the V<sub>C</sub>-B<sub>3</sub>C<sub>2</sub>N<sub>3</sub> monolayer and the 19Li-V<sub>C</sub> complex in the NVT ensemble. The outcomes of this study suggest that the vacancy-defected B<sub>3</sub>C<sub>2</sub>N<sub>3</sub> monolayer shows promise in Li atom storage for potential applications in LIBs.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109411"},"PeriodicalIF":4.2,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimization of CsPbCl3 violet/blue all-inorganic light-emitting diodes devices

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-22 DOI: 10.1016/j.mssp.2025.109403

Weifang Zhang, Shenwei Wang, Lixin Yi

Large grain films can effectively reduce the density of defect states; however, the performance of electroluminescent (EL) devices prepared by directly annealing the light-emitting layer remains unsatisfactory. In this paper, we propose a novel preparation method aimed at solving the problem of low carrier recombination probability in films with large grains. In this experiment, an unannealed CsPbCl₃ film was grown based on an annealed CsPbCl₃ film. The experimental results indicate that, compared with the devices of single light-emitting film, the devices of double-layer film significantly improve the intensity and stability of EL. For the lower layer of CsPbCl₃, it is essential to balance the thickness and annealing parameters. The findings reveal that device performance is optimal when the annealing temperature is set at 180 °C for a thickness of 150 nm, while the upper layer thickness is maintained at 120 nm. Additionally, stability is significantly enhanced, with the device lasting for 9 min before decaying to 48 % of its initial brightness. At the same time, the full width at half maximum is only 9.7 nm, showing high color purity. This improvement can be attributed to several factors: the epitaxial growth of the annealed layer enhances grain size and minimizes the number of grain boundaries, thereby suppressing ion migration. Additionally, films with larger grains demonstrate a lower density of defect states, which can mitigate non-radiative recombination processes. Finally, a higher valence band facilitates hole injection and aids in balancing carrier transport.

{"title":"Optimization of CsPbCl3 violet/blue all-inorganic light-emitting diodes devices","authors":"Weifang Zhang, Shenwei Wang, Lixin Yi","doi":"10.1016/j.mssp.2025.109403","DOIUrl":"10.1016/j.mssp.2025.109403","url":null,"abstract":"<div><div>Large grain films can effectively reduce the density of defect states; however, the performance of electroluminescent (EL) devices prepared by directly annealing the light-emitting layer remains unsatisfactory. In this paper, we propose a novel preparation method aimed at solving the problem of low carrier recombination probability in films with large grains. In this experiment, an unannealed CsPbCl<sub>3</sub> film was grown based on an annealed CsPbCl<sub>3</sub> film. The experimental results indicate that, compared with the devices of single light-emitting film, the devices of double-layer film significantly improve the intensity and stability of EL. For the lower layer of CsPbCl<sub>3</sub>, it is essential to balance the thickness and annealing parameters. The findings reveal that device performance is optimal when the annealing temperature is set at 180 °C for a thickness of 150 nm, while the upper layer thickness is maintained at 120 nm. Additionally, stability is significantly enhanced, with the device lasting for 9 min before decaying to 48 % of its initial brightness. At the same time, the full width at half maximum is only 9.7 nm, showing high color purity. This improvement can be attributed to several factors: the epitaxial growth of the annealed layer enhances grain size and minimizes the number of grain boundaries, thereby suppressing ion migration. Additionally, films with larger grains demonstrate a lower density of defect states, which can mitigate non-radiative recombination processes. Finally, a higher valence band facilitates hole injection and aids in balancing carrier transport.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109403"},"PeriodicalIF":4.2,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143463798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Zinc vanadate/Magnesium oxide heterostructures: A novel electrode material for high power density hybrid supercapacitors

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-22 DOI: 10.1016/j.mssp.2025.109414

Rimsha Aslam , Yasir Javed , Yasir Jamil , Muhammad Asif Hanif

Metal Vanadate-based hybrid supercapacitors show great potential as new alternatives for battery and energy storage applications on a limited basis due to their combined and complementing benefits. The present study focused on synthesizing magnesium oxide (MgO), zinc vanadate Zn₃(VO₄)₂, and Zn₃(VO₄)₂/MgO heterostructures and optimized their electrochemical response for hybrid supercapacitors. The XRD analysis revealed that the crystallite size was varied from 22 to 43 nm. The scanning electron microscope (SEM) images showed vertically aligned nanosheets for Zn₃(VO₄)₂/MgO heterostructures. The EDX mapping of the heterostructure revealed the presence of magnesium (Mg), oxygen (O), zinc (Zn), and vanadium (V). The Zn₃(VO₄)₂/MgO (2:1) heterostructure showed the best electrochemical response with a specific capacity of 995.5 Cg^-1 at 1 Ag^-1 current density. Diffusive-controlled processes contributed significantly to the charge storage process with 63 % contribution at a scan rate of 50 mVs⁻¹. The designed Zn₃(VO₄)₂/MgO (2:1)//AC hybrid device offered a specific capacity of 702 Cg^-1 (2 Ag^-1) with an exceptional power density of 33233.40 Wkg^-1 (4 Ag^-1). These results indicated the improved efficiency of the Zn₃(VO₄)₂/MgO (2:1) heterostructure, confirming its potential as a material electrode for hybrid supercapacitors.

{"title":"Zinc vanadate/Magnesium oxide heterostructures: A novel electrode material for high power density hybrid supercapacitors","authors":"Rimsha Aslam , Yasir Javed , Yasir Jamil , Muhammad Asif Hanif","doi":"10.1016/j.mssp.2025.109414","DOIUrl":"10.1016/j.mssp.2025.109414","url":null,"abstract":"<div><div>Metal Vanadate-based hybrid supercapacitors show great potential as new alternatives for battery and energy storage applications on a limited basis due to their combined and complementing benefits. The present study focused on synthesizing magnesium oxide (MgO), zinc vanadate Zn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>, and Zn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>/MgO heterostructures and optimized their electrochemical response for hybrid supercapacitors. The XRD analysis revealed that the crystallite size was varied from 22 to 43 nm. The scanning electron microscope (SEM) images showed vertically aligned nanosheets for Zn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>/MgO heterostructures. The EDX mapping of the heterostructure revealed the presence of magnesium (Mg), oxygen (O), zinc (Zn), and vanadium (V). The Zn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>/MgO (2:1) heterostructure showed the best electrochemical response with a specific capacity of 995.5 Cg<sup>-1</sup> at 1 Ag<sup>-1</sup> current density. Diffusive-controlled processes contributed significantly to the charge storage process with 63 % contribution at a scan rate of 50 mVs<sup>−1</sup>. The designed Zn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>/MgO (2:1)//AC hybrid device offered a specific capacity of 702 Cg<sup>-1</sup> (2 Ag<sup>-1</sup>) with an exceptional power density of 33233.40 Wkg<sup>-1</sup> (4 Ag<sup>-1</sup>). These results indicated the improved efficiency of the Zn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>/MgO (2:1) heterostructure, confirming its potential as a material electrode for hybrid supercapacitors.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109414"},"PeriodicalIF":4.2,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143463799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Study of the influence of phase transformations of the biogenic Hydroxyapatite/Nb2O5 heterostructure on the photodegradation of different dye mixtures under sunlight irradiation

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-21 DOI: 10.1016/j.mssp.2025.109400

M.A.M. Castro , D.F.S. Morais , R.A. Oliveira , M.D. Teodoro , U.C. Silva , F.V. Motta , M.R.D. Bomio

The calcination temperature is responsible for decomposing hydroxyapatite (HAp) and altering the crystalline structure of Nb₂O₅. In this work, we report the synthesis of a biogenic HAp/Nb₂O₅ heterostructure via a microwave-assisted hydrothermal method. Marine shell residues were used as a calcium precursor for the synthesis of HAp. Samples without calcination and calcined between 600 and 1200 °C were obtained to observe the influence of phase transformations on the photocatalytic performance. XRD and SEM characterization revealed the formation of calcium niobate crystalline phases at 800 °C and tricalcium phosphate phases at 1000 °C. The presence of these phases promoted textural and spectroscopic changes in the heterostructure. Photocatalytic tests under solar irradiation in different mixtures involving cationic and anionic dyes revealed that the best sample was the one without calcination, as it exhibited fewer deep defects and a larger specific surface area. Moreover, the heterostructure of the mixtures maintained photodegradation stability by at least 78 % after five reuse cycles. Inhibitor tests, EPR analyses and UV light testing indicated that superoxide (•O₂⁻), hole (h⁺) and hydroxyl (^•OH) are the active radicals and that there is a minimal sensitization influence. After calculation of the conduction and valence bands, a proposed mechanism for the obtained heterostructure indicated that it is of the direct Z scheme type.

{"title":"Study of the influence of phase transformations of the biogenic Hydroxyapatite/Nb2O5 heterostructure on the photodegradation of different dye mixtures under sunlight irradiation","authors":"M.A.M. Castro , D.F.S. Morais , R.A. Oliveira , M.D. Teodoro , U.C. Silva , F.V. Motta , M.R.D. Bomio","doi":"10.1016/j.mssp.2025.109400","DOIUrl":"10.1016/j.mssp.2025.109400","url":null,"abstract":"<div><div>The calcination temperature is responsible for decomposing hydroxyapatite (HAp) and altering the crystalline structure of Nb<sub>2</sub>O<sub>5</sub>. In this work, we report the synthesis of a biogenic HAp/Nb<sub>2</sub>O<sub>5</sub> heterostructure via a microwave-assisted hydrothermal method. Marine shell residues were used as a calcium precursor for the synthesis of HAp. Samples without calcination and calcined between 600 and 1200 °C were obtained to observe the influence of phase transformations on the photocatalytic performance. XRD and SEM characterization revealed the formation of calcium niobate crystalline phases at 800 °C and tricalcium phosphate phases at 1000 °C. The presence of these phases promoted textural and spectroscopic changes in the heterostructure. Photocatalytic tests under solar irradiation in different mixtures involving cationic and anionic dyes revealed that the best sample was the one without calcination, as it exhibited fewer deep defects and a larger specific surface area. Moreover, the heterostructure of the mixtures maintained photodegradation stability by at least 78 % after five reuse cycles. Inhibitor tests, EPR analyses and UV light testing indicated that superoxide (•O<sub>2</sub><sup>−</sup>), hole (h<sup>+</sup>) and hydroxyl (<sup>•</sup>OH) are the active radicals and that there is a minimal sensitization influence. After calculation of the conduction and valence bands, a proposed mechanism for the obtained heterostructure indicated that it is of the direct Z scheme type.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109400"},"PeriodicalIF":4.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143453346","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimizing photovoltaic performance of D-π-A-type organic dye: A DFT/TD-DFT study on promising aromatic heterocycles anchoring groups

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-21 DOI: 10.1016/j.mssp.2025.109399

Kun Wang , Teng-Fei Lu , Yao Liang , Yang Wen , Yan Cui , Hualong Tao , Ming He , Zhihua Zhang

The focus of this paper is to investigate the influence of promising anchoring groups in organic dye on the photoelectric performance and the charge transfer dynamics process. Conducting in-depth exploration of the geometric and electronic structure, optical absorption properties of dyes based on novel aromatic and acidic anchoring groups by using density functional theory (DFT) and time-dependent (TD-DFT) methods. Employing quantum dynamics simulations to elucidate how anchoring groups affect the charge transfer at the dye/TiO₂ interface. The calculation results indicate that the carbon-conjugated structure in aromatic heterocycles can effectively broaden spectra absorption band, and enhance donor-acceptor coupling and charge injection at the dye/TiO₂ interface compared to the nitrogen-conjugated heterocycles. The introduction of electron-withdrawing group and acidic adsorption group can highly improve light absorption performance, but the interfacial charge transfer rate is slower compared to carbon-conjugated aromatic heterocycles. Overall, it is expected that these findings will greatly enrich the understanding of anchoring groups in organic dyes and offer valuable insights for the design of efficient dye sensitizers.

{"title":"Optimizing photovoltaic performance of D-π-A-type organic dye: A DFT/TD-DFT study on promising aromatic heterocycles anchoring groups","authors":"Kun Wang , Teng-Fei Lu , Yao Liang , Yang Wen , Yan Cui , Hualong Tao , Ming He , Zhihua Zhang","doi":"10.1016/j.mssp.2025.109399","DOIUrl":"10.1016/j.mssp.2025.109399","url":null,"abstract":"<div><div>The focus of this paper is to investigate the influence of promising anchoring groups in organic dye on the photoelectric performance and the charge transfer dynamics process. Conducting in-depth exploration of the geometric and electronic structure, optical absorption properties of dyes based on novel aromatic and acidic anchoring groups by using density functional theory (DFT) and time-dependent (TD-DFT) methods. Employing quantum dynamics simulations to elucidate how anchoring groups affect the charge transfer at the dye/TiO<sub>2</sub> interface. The calculation results indicate that the carbon-conjugated structure in aromatic heterocycles can effectively broaden spectra absorption band, and enhance donor-acceptor coupling and charge injection at the dye/TiO<sub>2</sub> interface compared to the nitrogen-conjugated heterocycles. The introduction of electron-withdrawing group and acidic adsorption group can highly improve light absorption performance, but the interfacial charge transfer rate is slower compared to carbon-conjugated aromatic heterocycles. Overall, it is expected that these findings will greatly enrich the understanding of anchoring groups in organic dyes and offer valuable insights for the design of efficient dye sensitizers.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109399"},"PeriodicalIF":4.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143464006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Diode laser induced crystallization of CZTS thin films deposited on flexible molybdenum foils

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-21 DOI: 10.1016/j.mssp.2025.109387

Simya Olavil-Karayi , Kursad Sezer , Giray Kartopu , Michael D.K. Jones , Prabeesh Punathil , Ochai Oklobia , John Tyrer , Lewis C.R. Jones , Yongtao Qu , Vincent Barrioz , Guillaume Zoppi , Neil S. Beattie , Elliot Woolley

Copper zinc tin sulfide (CZTS) thin films have the potential to be an absorber material in photovoltaic (PV) cells due to their optimal bandgap and high absorption coefficient. Despite their potential, issues such as low carrier mobility, short lifetime, and structural defects limit their application. Post-deposition annealing, which involves heating the films in a controlled atmosphere is usually required to improve film structure. Traditional annealing is a slow, energy-demanding process and incompatible with certain substrates, including temperature-sensitive polymeric materials and metallic foils. This work demonstrates a diode laser (808 nm) treatment as a rapid alternative to induce crystallization in CZTS films, potentially eliminating the need for traditional furnace annealing, thereby offering potential advantages in both time and energy consumption. The results show that diode laser treatment can promote crystallization of CZTS thin films, as confirmed by Raman studies. Photoluminescence (PL) spectroscopy revealed that the wider bandgap (∼1.78 eV) of the as-deposited material nanocrystalline material is reduced to around 1.4 eV upon laser annealing and the PL emission intensity showed significant enhancement, which are ascribed to improvement in both the crystal size and quality. Such improvements promise to have the potential to address some of the remaining challenges in using CZTS as an absorber material in next-generation PV cells.

{"title":"Diode laser induced crystallization of CZTS thin films deposited on flexible molybdenum foils","authors":"Simya Olavil-Karayi , Kursad Sezer , Giray Kartopu , Michael D.K. Jones , Prabeesh Punathil , Ochai Oklobia , John Tyrer , Lewis C.R. Jones , Yongtao Qu , Vincent Barrioz , Guillaume Zoppi , Neil S. Beattie , Elliot Woolley","doi":"10.1016/j.mssp.2025.109387","DOIUrl":"10.1016/j.mssp.2025.109387","url":null,"abstract":"<div><div>Copper zinc tin sulfide (CZTS) thin films have the potential to be an absorber material in photovoltaic (PV) cells due to their optimal bandgap and high absorption coefficient. Despite their potential, issues such as low carrier mobility, short lifetime, and structural defects limit their application. Post-deposition annealing, which involves heating the films in a controlled atmosphere is usually required to improve film structure. Traditional annealing is a slow, energy-demanding process and incompatible with certain substrates, including temperature-sensitive polymeric materials and metallic foils. This work demonstrates a diode laser (808 nm) treatment as a rapid alternative to induce crystallization in CZTS films, potentially eliminating the need for traditional furnace annealing, thereby offering potential advantages in both time and energy consumption. The results show that diode laser treatment can promote crystallization of CZTS thin films, as confirmed by Raman studies. Photoluminescence (PL) spectroscopy revealed that the wider bandgap (∼1.78 eV) of the as-deposited material nanocrystalline material is reduced to around 1.4 eV upon laser annealing and the PL emission intensity showed significant enhancement, which are ascribed to improvement in both the crystal size and quality. Such improvements promise to have the potential to address some of the remaining challenges in using CZTS as an absorber material in next-generation PV cells.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109387"},"PeriodicalIF":4.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143453355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of Ag-loaded NaNbO3/g-C3N4 heterojunction for enhanced photocatalytic degradation of methyl orange

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-21 DOI: 10.1016/j.mssp.2025.109401

Shuyun Huang , Fangyutong Xiong , Mingxue Yu , Yun Zhou , Junwei Xu , Jianjun Liu

A composite material of NaNbO₃ and g-C₃N₄ was synthesized using an ultrasonic mixing technique followed by the incorporation of varying amounts of Ag to create the ternary Ag/NaNbO₃/g-C₃N₄ (Ag/NN/CN) photocatalytic system. Notably, 15%Ag/NN/CN showed an approximately sixfold higher rate of photocatalytic degradation of methyl orange than pristine g-C₃N₄. UV–Vis diffuse reflectance spectroscopy (DRS) revealed a significant redshift in the absorption spectrum of the Ag/NN/CN composite compared to pure g-C₃N₄, suggesting an enhanced ability to utilize light. Additionally, according to photoluminescence (PL) emission spectroscopy, TPR, and electrochemical impedance spectroscopy (EIS) analyses, the composite effectively decreased the recombination rate of photogenerated electron-hole pairs in g-C₃N₄. Quenching experiments and electron spin resonance (ESR) data indicated that introducing NaNbO₃ and Ag notably improves the capacity of the Ag/NN/CN catalyst to generate •OH and •O₂⁻ radicals. The increase in photocatalytic performance is ascribed mainly to the combined effects of the surface plasmon resonance (SPR) of Ag nanoparticles and the piezoelectric field effect of NaNbO₃.

{"title":"Synthesis of Ag-loaded NaNbO3/g-C3N4 heterojunction for enhanced photocatalytic degradation of methyl orange","authors":"Shuyun Huang , Fangyutong Xiong , Mingxue Yu , Yun Zhou , Junwei Xu , Jianjun Liu","doi":"10.1016/j.mssp.2025.109401","DOIUrl":"10.1016/j.mssp.2025.109401","url":null,"abstract":"<div><div>A composite material of NaNbO<sub>3</sub> and g-C<sub>3</sub>N<sub>4</sub> was synthesized using an ultrasonic mixing technique followed by the incorporation of varying amounts of Ag to create the ternary Ag/NaNbO<sub>3</sub>/g-C<sub>3</sub>N<sub>4</sub> (Ag/NN/CN) photocatalytic system. Notably, 15%Ag/NN/CN showed an approximately sixfold higher rate of photocatalytic degradation of methyl orange than pristine g-C<sub>3</sub>N<sub>4</sub>. UV–Vis diffuse reflectance spectroscopy (DRS) revealed a significant redshift in the absorption spectrum of the Ag/NN/CN composite compared to pure g-C<sub>3</sub>N<sub>4</sub>, suggesting an enhanced ability to utilize light. Additionally, according to photoluminescence (PL) emission spectroscopy, TPR, and electrochemical impedance spectroscopy (EIS) analyses, the composite effectively decreased the recombination rate of photogenerated electron-hole pairs in g-C<sub>3</sub>N<sub>4</sub>. Quenching experiments and electron spin resonance (ESR) data indicated that introducing NaNbO<sub>3</sub> and Ag notably improves the capacity of the Ag/NN/CN catalyst to generate •OH and •O<sub>2</sub><sup>−</sup> radicals. The increase in photocatalytic performance is ascribed mainly to the combined effects of the surface plasmon resonance (SPR) of Ag nanoparticles and the piezoelectric field effect of NaNbO<sub>3</sub>.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109401"},"PeriodicalIF":4.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143463797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Sulfidation adjust the valence states of metal ions enhancing alkaline seawater OER catalytic activity and stability for PBA−derived self–supporting NiFe sulfide

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-02-19 DOI: 10.1016/j.mssp.2025.109396

Xuan Tong , Haiyang Xu , Shengjie Wei , Dingcheng Sun , Shan Lin , Hangyu Zhou , Xu Ji , Yue Yang , Le Zhang

Seawater, a prevalent resource, is gaining attention as a substitute for freshwater in hydrogen electrolysis. Nonetheless, the corrosion resistance of the anode to chloride ions still faces challenges. In this paper, NiFe PBA-S/NF was grown on nickel foam to promote effective electron conduction between the substrate and the catalyst, and the catalyst was enriched with redox reaction by adjusting the valence state of metal ions through sulfidation, which was beneficial to electrocatalytic kinetics and durability. Notably, it exhibited excellent performance in alkaline simulated seawater electrolytes, with an overpotential of 247 mV at 100 mA cm⁻² and remained stable for more than 55 h. In addition, we evaluated the effect of Cl⁻ ion concentration on catalyst performance and observed that the catalyst exhibited higher OER activity in alkaline simulated seawater with higher concentrations of Cl⁻. These results provide a solid experimental foundation for designing economically efficient seawater corrosion resistant electrolytic catalysts.

{"title":"Sulfidation adjust the valence states of metal ions enhancing alkaline seawater OER catalytic activity and stability for PBA−derived self–supporting NiFe sulfide","authors":"Xuan Tong , Haiyang Xu , Shengjie Wei , Dingcheng Sun , Shan Lin , Hangyu Zhou , Xu Ji , Yue Yang , Le Zhang","doi":"10.1016/j.mssp.2025.109396","DOIUrl":"10.1016/j.mssp.2025.109396","url":null,"abstract":"<div><div>Seawater, a prevalent resource, is gaining attention as a substitute for freshwater in hydrogen electrolysis. Nonetheless, the corrosion resistance of the anode to chloride ions still faces challenges. In this paper, NiFe PBA-S/NF was grown on nickel foam to promote effective electron conduction between the substrate and the catalyst, and the catalyst was enriched with redox reaction by adjusting the valence state of metal ions through sulfidation, which was beneficial to electrocatalytic kinetics and durability. Notably, it exhibited excellent performance in alkaline simulated seawater electrolytes, with an overpotential of 247 mV at 100 mA cm<sup>−2</sup> and remained stable for more than 55 h. In addition, we evaluated the effect of Cl<sup>−</sup> ion concentration on catalyst performance and observed that the catalyst exhibited higher OER activity in alkaline simulated seawater with higher concentrations of Cl<sup>−</sup>. These results provide a solid experimental foundation for designing economically efficient seawater corrosion resistant electrolytic catalysts.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109396"},"PeriodicalIF":4.2,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143438277","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0