Pub Date : 2024-10-03DOI: 10.1016/j.mseb.2024.117744
Abeer A. Hassan , Md. Selim Reza , Avijit Ghosh , Nondon Lal Dey , Md. Shamim Reza , Mohammad Shahjalal , Abul Kashem Mohammad Yahia , Md. Mahfuz Hossain , Md Shameem Ahsan , Md Farad Ahmmed , H.A. Alrafai
Perovskite photocells are gaining attention mainly because of their special features. The purpose of this work is to use the SCAPS-1D simulator to model the action of absorbers in perovskite photocells that are based on silver cadmium fluoride. This research investigates how varying HTLs (Cu2O and P3HT) combined with an In2S3 ETL influence the efficiency of these solar cells. The PCEs are 30.33 and 30.02 %, with VOC of 0.91 and 0.90 V, JSC of 42.00 and 41.88 mAcm−2, and FF of 79.45 and 79.59 % for Cu2O and P3HT HTLs, respectively. After optimizing the device (Al/FTO/In2S3/AgCdF3/Cu2O/Ni), this study also looks at how the optimized thickness of ETL and HTL, acceptor density, donor and defect density, temperature, J-V and QE properties, generation and recombination rates, series, and shunt resistance impact performance. This comprehensive simulation research enables scientists to create cost-efficient and highly effective PSCs, furthering advancements in solar technology.
{"title":"A thorough investigation of HTL layers to develop and simulate AgCdF3-based perovskite solar cells","authors":"Abeer A. Hassan , Md. Selim Reza , Avijit Ghosh , Nondon Lal Dey , Md. Shamim Reza , Mohammad Shahjalal , Abul Kashem Mohammad Yahia , Md. Mahfuz Hossain , Md Shameem Ahsan , Md Farad Ahmmed , H.A. Alrafai","doi":"10.1016/j.mseb.2024.117744","DOIUrl":"10.1016/j.mseb.2024.117744","url":null,"abstract":"<div><div>Perovskite photocells are gaining attention mainly because of their special features. The purpose of this work is to use the SCAPS-1D simulator to model the action of absorbers in perovskite photocells that are based on silver cadmium fluoride. This research investigates how varying HTLs (Cu<sub>2</sub>O and P<sub>3</sub>HT) combined with an In<sub>2</sub>S<sub>3</sub> ETL influence the efficiency of these solar cells. The PCEs are 30.33 and 30.02 %, with V<sub>OC</sub> of 0.91 and 0.90 V, J<sub>SC</sub> of 42.00 and 41.88 mAcm<sup>−2</sup>, and FF of 79.45 and 79.59 % for Cu<sub>2</sub>O and P<sub>3</sub>HT HTLs, respectively. After optimizing the device (Al/FTO/In<sub>2</sub>S<sub>3</sub>/AgCdF<sub>3</sub>/Cu<sub>2</sub>O/Ni), this study also looks at how the optimized thickness of ETL and HTL, acceptor density, donor and defect density, temperature, J-V and QE properties, generation and recombination rates, series, and shunt resistance impact performance. This comprehensive simulation research enables scientists to create cost-efficient and highly effective PSCs, furthering advancements in solar technology.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117744"},"PeriodicalIF":3.9,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142425752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-03DOI: 10.1016/j.mseb.2024.117742
Ghulam Nabi , Zubia Razzaq , Muhammad Shakil , Abdul Rehman , Ahmed Nadeem , Khuram Shahzad Ahmad , Mudassar Maraj
Owing to high industrial demand, H2 stocking display of alkali metals (AMs) including Li, Na, and K decorated arsenene is investigated utilizing DFT. The structure integrity for Li, Na, and K decorated arsenene is confirmed through geometry optimization and phonon dispersions. The firm bindings confirmations are noted for Li, Na and K above arsenene with binding energy values i.e. −2.607 eV, −2.263 eV and −1.993 eV respectively depicting Li as most stable with maximum hydrogen adsorption. A single Li atom decoration can adsorb three H2 molecules with average value of adsorption energy −0.125 eV per H2. While in the case of multiple Li atom adsorption, each Li atom is competent to physically capture two H2 with mean adsorption energy −0.131 electron volt per H2 with the reversible gravimetric capacity of 3.85 %. The present endeavor intends to provide insight into potential hydrogen storage materials in the future.
由于工业需求量大，我们利用 DFT 研究了碱金属（AMs）的 H2 储存显示，包括锂、纳和钾装饰砷烯。通过几何优化和声子色散，确认了 Li、Na 和 K 装饰砷烯的结构完整性。砷烯上的 Li、Na 和 K 的结合能值分别为 -2.607 eV、-2.263 eV 和 -1.993 eV，表明 Li 的结合最为牢固，具有最大的氢吸附能力。单个锂原子装饰可吸附三个 H2 分子，每个 H2 的平均吸附能为 -0.125 eV。而在多个锂原子吸附的情况下，每个锂原子能够物理捕获两个氢气，平均吸附能为每个氢气-0.131 电子伏特，可逆重力容量为 3.85%。本研究旨在为未来潜在的储氢材料提供启示。
{"title":"Promising hydrogen storage performance of alkali metal (Li, Na, K) decorated arsenene: A DFT study","authors":"Ghulam Nabi , Zubia Razzaq , Muhammad Shakil , Abdul Rehman , Ahmed Nadeem , Khuram Shahzad Ahmad , Mudassar Maraj","doi":"10.1016/j.mseb.2024.117742","DOIUrl":"10.1016/j.mseb.2024.117742","url":null,"abstract":"<div><div>Owing to high industrial demand, H<sub>2</sub> stocking display of alkali metals (AMs) including Li, Na, and K decorated arsenene is investigated utilizing DFT. The structure integrity for Li, Na, and K decorated arsenene is confirmed through geometry optimization and phonon dispersions. The firm bindings confirmations are noted for Li, Na and K above arsenene with binding energy values i.e. −2.607 eV, −2.263 eV and −1.993 eV respectively depicting Li as most stable with maximum hydrogen adsorption. A single Li atom decoration can adsorb three H<sub>2</sub> molecules with average value of adsorption energy −0.125 eV per H<sub>2</sub>. While in the case of multiple Li atom adsorption, each Li atom is competent to physically capture two H<sub>2</sub> with mean adsorption energy −0.131 electron volt per H<sub>2</sub> with the reversible gravimetric capacity of 3.85 %. The present endeavor intends to provide insight into potential hydrogen storage materials in the future.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117742"},"PeriodicalIF":3.9,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142425751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-03DOI: 10.1016/j.mseb.2024.117745
Marta Martins , Gamze Bozkurt , Ayşe Bayrakçeken , Gülin S. Pozan Soylu , Biljana Šljukić , Diogo M.F. Santos
Integrating transition metal oxides with precious metals is a strategic approach to designing cost-effective electrocatalysts with enhanced stability. Herein, platinum (Pt) nanoparticles (NPs) were prepared by microwave irradiation and anchored onto MnO and two binary metal oxides, MnO-NiO and MnO-TiO2, obtained by solid-state dispersion. Voltammetric and electrochemical impedance spectroscopy techniques evaluated their performance for oxygen reduction reaction (ORR) and borohydride oxidation reaction (BOR) in alkaline media. Tafel slope and the number of exchanged electrons, n, were determined to compare the three electrocatalysts’ performance for fuel cell applications. Pt/MnO-NiO revealed a Tafel slope of 177 mV dec–1 for ORR and an n value of ca. 4 and 3 e- for ORR and BOR, respectively. These findings demonstrate that Pt NPs supported on binary metal oxide supports, particularly Pt/MnO-NiO, are promising electrocatalysts for ORR and BOR in alkaline media, thus recommending their use in direct borohydride fuel cells.
将过渡金属氧化物与贵金属相结合是设计具有成本效益且稳定性更强的电催化剂的一种战略方法。本文采用微波辐照法制备了铂纳米颗粒（NPs），并将其锚定在氧化锰和两种二元金属氧化物（MnO-NiO 和 MnO-TiO2）上。伏安法和电化学阻抗谱技术评估了它们在碱性介质中进行氧还原反应（ORR）和硼氢化物氧化反应（BOR）的性能。测定了塔菲尔斜率和交换电子数 n，以比较三种电催化剂在燃料电池应用中的性能。Pt/MnO-NiO 在 ORR 中的塔菲尔斜率为 177 mV dec-1，在 ORR 和 BOR 中的 n 值分别约为 4 和 3 e-。这些研究结果表明，支撑在二元金属氧化物（尤其是 Pt/MnO-NiO）上的铂氮氧化物是在碱性介质中实现 ORR 和 BOR 的理想电催化剂，因此建议将其用于直接硼氢化燃料电池。
{"title":"Pt-decorated binary transition metal oxides (MnO-NiO, MnO-TiO2) for enhanced electrocatalysis of oxygen reduction and borohydride oxidation","authors":"Marta Martins , Gamze Bozkurt , Ayşe Bayrakçeken , Gülin S. Pozan Soylu , Biljana Šljukić , Diogo M.F. Santos","doi":"10.1016/j.mseb.2024.117745","DOIUrl":"10.1016/j.mseb.2024.117745","url":null,"abstract":"<div><div>Integrating transition metal oxides with precious metals is a strategic approach to designing cost-effective electrocatalysts with enhanced stability. Herein, platinum (Pt) nanoparticles (NPs) were prepared by microwave irradiation and anchored onto MnO and two binary metal oxides, MnO-NiO and MnO-TiO<sub>2</sub>, obtained by solid-state dispersion. Voltammetric and electrochemical impedance spectroscopy techniques evaluated their performance for oxygen reduction reaction (ORR) and borohydride oxidation reaction (BOR) in alkaline media. Tafel slope and the number of exchanged electrons, n, were determined to compare the three electrocatalysts’ performance for fuel cell applications. Pt/MnO-NiO revealed a Tafel slope of 177 mV dec<sup>–1</sup> for ORR and an n value of ca. 4 and 3 e<sup>-</sup> for ORR and BOR, respectively. These findings demonstrate that Pt NPs supported on binary metal oxide supports, particularly Pt/MnO-NiO, are promising electrocatalysts for ORR and BOR in alkaline media, thus recommending their use in direct borohydride fuel cells.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117745"},"PeriodicalIF":3.9,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142425753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-02DOI: 10.1016/j.mseb.2024.117751
Ju Lei, Feiping Lu, Yongjun Wei, Xinqi Ai, Weijun Ling
The interface of perovskite solar cells (PSCs) significantly influences their efficiency and stability. Researchers tend to pay more attention to the upper surface of the perovskite absorber layer and conduct relatively less research on the bottom buried interface, mainly because the bottom of the perovskite film is challenging to peel off, which increases the difficulty of the characterization of the observation and analysis. Defects at the bottom interface make it more challenging to optimize the treatment than the upper surface. For inverted PSCs, the interface located in direct contact between the light absorption layer of perovskite and the hole transport layer is the buried interface. The buried interface is the direct interface for transporting charge carriers of PSCs and is also the center of non-radiative compound enrichment. The defect density is higher than the defect density of perovskite film crystal. Due to the DMSO initially left in the commonly used perovskite precursor solution during the film formation process, evaporation during the annealing and crystallization process creates vacancy holes at the bottom of the perovskite layer film. These holes and crystal boundaries tend to produce many non-radiative recombinations. These holes are also the sites of photodecomposition, leading to reduced efficiency and stability in PSCs, ultimately impacting the overall performance of PSCs. The work adds an Al2O3 mesoporous layer on top of the hole transport layer (HTL), which reduces the direct contact area between PTAA and perovskite film. In the perovskite precursor solution, we incorporate a solid additive called Carbonohydrazide (CBH), this substance replaces some of the DMSO and fills in the voids at the bottom of the perovskite film that is left when the DMSO evaporates. This process helps to reduce non-radiative recombination and photodegradation caused by the voids at the bottom of the perovskite, leading to an improvement in the efficiency and stability of the cell. The optimization of the buried bottom interface has improved the cell’s average efficiency from 17.6 % to 19.7 %, an 11.9 % increase. The aperture area of the devices in this work is 0.048 cm2, and the photoelectric conversion efficiency of our device still reaches 80.64 % of the initial efficiency after 600 h of continuous heating in a glove box with a nitrogen atmosphere, maintaining a test temperature of 60 °C.
{"title":"Study on the enhancement of device performance by the action of carbonohydrazide at the buried bottom interface of inverted mesoporous perovskite solar cells","authors":"Ju Lei, Feiping Lu, Yongjun Wei, Xinqi Ai, Weijun Ling","doi":"10.1016/j.mseb.2024.117751","DOIUrl":"10.1016/j.mseb.2024.117751","url":null,"abstract":"<div><div>The interface of perovskite solar cells (PSCs) significantly influences their efficiency and stability. Researchers tend to pay more attention to the upper surface of the perovskite absorber layer and conduct relatively less research on the bottom buried interface, mainly because the bottom of the perovskite film is challenging to peel off, which increases the difficulty of the characterization of the observation and analysis. Defects at the bottom interface make it more challenging to optimize the treatment than the upper surface. For inverted PSCs, the interface located in direct contact between the light absorption layer of perovskite and the hole transport layer is the buried interface. The buried interface is the direct interface for transporting charge carriers of PSCs and is also the center of non-radiative compound enrichment. The defect density is higher than the defect density of perovskite film crystal. Due to the DMSO initially left in the commonly used perovskite precursor solution during the film formation process, evaporation during the annealing and crystallization process creates vacancy holes at the bottom of the perovskite layer film. These holes and crystal boundaries tend to produce many non-radiative recombinations. These holes are also the sites of photodecomposition, leading to reduced efficiency and stability in PSCs, ultimately impacting the overall performance of PSCs. The work adds an Al<sub>2</sub>O<sub>3</sub> mesoporous layer on top of the hole transport layer (HTL), which reduces the direct contact area between PTAA and perovskite film. In the perovskite precursor solution, we incorporate a solid additive called Carbonohydrazide (CBH), this substance replaces some of the DMSO and fills in the voids at the bottom of the perovskite film that is left when the DMSO evaporates. This process helps to reduce non-radiative recombination and photodegradation caused by the voids at the bottom of the perovskite, leading to an improvement in the efficiency and stability of the cell. The optimization of the buried bottom interface has improved the cell’s average efficiency from 17.6 % to 19.7 %, an 11.9 % increase. The aperture area of the devices in this work is 0.048 cm<sup>2</sup>, and the photoelectric conversion efficiency of our device still reaches 80.64 % of the initial efficiency after 600 h of continuous heating in a glove box with a nitrogen atmosphere, maintaining a test temperature of 60 °C.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117751"},"PeriodicalIF":3.9,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142425754","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-01DOI: 10.1016/j.mseb.2024.117738
Siqi Zhao , Yunkai Li , Moyu Wei , Jingyi Jiao , Guoguo Yan , Xingfang Liu
In this investigation, we explore the synthesis of MoS2 through thermal evaporative deposition, seeking to uncover the growth dynamics and structural evolution of MoS2 under varied experimental conditions. By adjusting the temperature and the carrier gas, this study targets the fabrication of vertical multilayer MoS2 and its growth mode. Our analysis demonstrates that thermal conditions markedly influence flake morphology and dimensions, leading to a notable shift from AA to AB stacking configurations as temperatures rise in the vacuum. Additionally, the application of carrier distinctly modifies growth behaviors, enhancing the uniformity of nucleation sites and the propensity for lateral flake expansion. The insights gained from this research highlight the adaptability and effectiveness of thermal evaporative deposition in producing MoS2, thereby enriching our understanding of the fundamental mechanisms guiding MoS2 synthesis.
{"title":"Vertical multilayer structure of MoS2 flakes prepared by thermal evaporative deposition","authors":"Siqi Zhao , Yunkai Li , Moyu Wei , Jingyi Jiao , Guoguo Yan , Xingfang Liu","doi":"10.1016/j.mseb.2024.117738","DOIUrl":"10.1016/j.mseb.2024.117738","url":null,"abstract":"<div><div>In this investigation, we explore the synthesis of MoS<sub>2</sub> through thermal evaporative deposition, seeking to uncover the growth dynamics and structural evolution of MoS<sub>2</sub> under varied experimental conditions. By adjusting the temperature and the carrier gas, this study targets the fabrication of vertical multilayer MoS<sub>2</sub> and its growth mode. Our analysis demonstrates that thermal conditions markedly influence flake morphology and dimensions, leading to a notable shift from AA to AB stacking configurations as temperatures rise in the vacuum. Additionally, the application of carrier distinctly modifies growth behaviors, enhancing the uniformity of nucleation sites and the propensity for lateral flake expansion. The insights gained from this research highlight the adaptability and effectiveness of thermal evaporative deposition in producing MoS<sub>2</sub>, thereby enriching our understanding of the fundamental mechanisms guiding MoS<sub>2</sub> synthesis.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117738"},"PeriodicalIF":3.9,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359474","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-30DOI: 10.1016/j.mseb.2024.117741
Xuefang Cao , Xuefei Jia , Zhixian Wei , Gaoxu Deng
A novel metal–organic framework (MOF), ZnFe-MOF, was synthesized using a water phase method. By employing an explosion method with ZnFe-MOF as a precursor, a porous carbon composite electromagnetic wave-absorbing powder, ZnFe2O4/ZnO/Fe3O4/Fe3N/Fe2N/Zn/C (ZFC280), was obtained. This study examined the effects of paraffin filling amount and calcination temperature on the absorption performance of carbon composite materials. Notably, when the mass ratio of the absorber to paraffin was 1:1, the nanocomposite absorber ZnFe2O4/ZnO/Fe3O4/Fe3N/C (ZFC300) exhibited superior electromagnetic wave absorption capability. The ZFC300 sample demonstrated nearly complete absorption of electromagnetic waves across frequencies from 2 to 18 GHz with thicknesses ranging from 1 to 10 mm. Particularly, ZFC300 achieved a minimum reflection loss of −55.32 dB at 4.31 GHz with the 5.46 mm thickness and exhibited the broadest absorption bandwidth of 4.14 GHz at a thickness of 2.0 mm. The primary loss mechanism of the multicomponent and porous ZFC300 was dielectric loss with supplementary magnetic loss. Owing to its excellent absorption performance, the ZFC300 absorber is be a promising candidate for both civilian and military applications.
{"title":"Facile synthesis of ZnFe2O4/ZnO/Fe3O4/Fe3N/C composites derived from bimetallic MOFs for efficient electromagnetic wave absorption","authors":"Xuefang Cao , Xuefei Jia , Zhixian Wei , Gaoxu Deng","doi":"10.1016/j.mseb.2024.117741","DOIUrl":"10.1016/j.mseb.2024.117741","url":null,"abstract":"<div><div>A novel metal–organic framework (MOF), ZnFe-MOF, was synthesized using a water phase method. By employing an explosion method with ZnFe-MOF as a precursor, a porous carbon composite electromagnetic wave-absorbing powder, ZnFe<sub>2</sub>O<sub>4</sub>/ZnO/Fe<sub>3</sub>O<sub>4</sub>/Fe<sub>3</sub>N/Fe<sub>2</sub>N/Zn/C (ZFC280), was obtained. This study examined the effects of paraffin filling amount and calcination temperature on the absorption performance of carbon composite materials. Notably, when the mass ratio of the absorber to paraffin was 1:1, the nanocomposite absorber ZnFe<sub>2</sub>O<sub>4</sub>/ZnO/Fe<sub>3</sub>O<sub>4</sub>/Fe<sub>3</sub>N/C (ZFC300) exhibited superior electromagnetic wave absorption capability. The ZFC300 sample demonstrated nearly complete absorption of electromagnetic waves across frequencies from 2 to 18 GHz with thicknesses ranging from 1 to 10 mm. Particularly, ZFC300 achieved a minimum reflection loss of −55.32 dB at 4.31 GHz with the 5.46 mm thickness and exhibited the broadest absorption bandwidth of 4.14 GHz at a thickness of 2.0 mm. The primary loss mechanism of the multicomponent and porous ZFC300 was dielectric loss with supplementary magnetic loss. Owing to its excellent absorption performance, the ZFC300 absorber is be a promising candidate for both civilian and military applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117741"},"PeriodicalIF":3.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-29DOI: 10.1016/j.mseb.2024.117736
Min-Seong Kong , Min-Su Park , Si-Young Bae
Nickel oxide (NiO) thin films were grown by mist chemical vapor deposition (mist CVD) with various amounts of Li dopant in the precursor (0–15%). As the Li dopant readily decomposed under the high temperature above 700 °C, the post-growth annealing was conducted at 600–800 °C. The crystal quality of the undoped and Li-doped NiO films was improved by thermal annealing due to the crystal reconstruction. The optical transmittance of NiO films was decreased with increasing the amounts of Li dopants, whereas it was increased with thermal annealing. The bandgap of the NiO films was slightly red-shifted with increased amounts of Li dopants, whereas it was blue-shifted with increasing annealing temperature. The resistivity of as-grown NiO films ranged from 25–75 Ω·cm with Li doping. Electrical properties abruptly decreased under a high annealing temperature of 700 °C. Hence, an appropriate combination of Li doping and post-growth annealing might improve the structural properties of the NiO thin films while retaining the p-type conductivity.
氧化镍（NiO）薄膜是通过雾状化学气相沉积法（雾状 CVD）生长的，前驱体中掺杂了不同量的锂（0-15%）。由于锂掺杂剂在 700 °C 以上的高温下容易分解，因此生长后的退火温度为 600-800 °C。由于晶体重构，热退火改善了未掺杂和掺锂氧化镍薄膜的晶体质量。随着掺锂量的增加，NiO 薄膜的光学透射率降低，而热退火则提高了光学透射率。随着掺杂锂元素数量的增加，NiO 薄膜的带隙发生了轻微的红移，而随着退火温度的升高，带隙发生了蓝移。随着锂掺杂量的增加，生长的氧化镍薄膜的电阻率在 25-75 Ω-cm 之间。在 700 °C 的高退火温度下，电性能突然下降。因此，掺杂锂和生长后退火的适当结合可能会改善氧化镍薄膜的结构特性，同时保留其 p 型导电性。
{"title":"Post-growth annealing effect of Li-doped NiO thin films grown by mist chemical vapor deposition","authors":"Min-Seong Kong , Min-Su Park , Si-Young Bae","doi":"10.1016/j.mseb.2024.117736","DOIUrl":"10.1016/j.mseb.2024.117736","url":null,"abstract":"<div><div>Nickel oxide (NiO) thin films were grown by mist chemical vapor deposition (mist CVD) with various amounts of Li dopant in the precursor (0–15%). As the Li dopant readily decomposed under the high temperature above 700 °C, the post-growth annealing was conducted at 600–800 °C. The crystal quality of the undoped and Li-doped NiO films was improved by thermal annealing due to the crystal reconstruction. The optical transmittance of NiO films was decreased with increasing the amounts of Li dopants, whereas it was increased with thermal annealing. The bandgap of the NiO films was slightly red-shifted with increased amounts of Li dopants, whereas it was blue-shifted with increasing annealing temperature. The resistivity of as-grown NiO films ranged from 25–75 Ω·cm with Li doping. Electrical properties abruptly decreased under a high annealing temperature of 700 °C. Hence, an appropriate combination of Li doping and post-growth annealing might improve the structural properties of the NiO thin films while retaining the <em>p</em>-type conductivity.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117736"},"PeriodicalIF":3.9,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We report the co-precipitation synthesis and properties of nanomaterials with multilayer Aurivillius phase structures Bim+1Fem-3Ti3O3m+3 (BFTO). This paper discusses the thermal behavior of materials based on seven-layer and eight-layer compounds and presents their magnetic characteristics. The structure and morphology were characterized using PXRD, helium pycnometry, and SEM/EDX. Thermal analyses were conducted using DSC/TG. The sintering behavior was investigated through dilatometry. Mössbauer spectroscopy revealed that varying the synthesis conditions allows control over the iron distribution within the Aurivillius phase structure. Spin-phonon coupling effects were examined using Raman spectroscopy. The magnetic characteristics were assessed using vibrating-sample magnetometry. The magnetic properties were analyzed by measuring the temperature dependence of magnetization and magnetic hysteresis loops. The magnetic experiments demonstrated that the composition has a more significant impact on the BFTO magnetic response than the size effect. The results of this study suggest that the obtained materials have promising functional applications.
{"title":"Synthesis, thermal and magnetic properties of nanoceramics with a multilayer Aurivillius phase type","authors":"N.A. Lomanova , V.L. Ugolkov , M.P. Volkov , S.G. Yastrebov","doi":"10.1016/j.mseb.2024.117734","DOIUrl":"10.1016/j.mseb.2024.117734","url":null,"abstract":"<div><div>We report the co-precipitation synthesis and properties of nanomaterials with multilayer<!--> <!-->Aurivillius phase structures Bi<em><sub>m</sub></em><sub>+1</sub>Fe<em><sub>m</sub></em><sub>-3</sub>Ti<sub>3</sub>O<sub>3</sub><em><sub>m</sub></em><sub>+3</sub> (BFTO). This paper discusses the thermal behavior of materials based on seven-layer<!--> <!-->and eight-layer<!--> <!-->compounds and presents their magnetic characteristics. The structure and morphology were characterized using PXRD, helium pycnometry, and SEM/EDX. Thermal analyses were conducted using DSC/TG. The sintering behavior was investigated through dilatometry. Mössbauer spectroscopy revealed that varying the synthesis conditions allows control over the iron distribution within the Aurivillius phase structure. Spin-phonon coupling effects were examined using Raman spectroscopy. The magnetic characteristics were assessed using vibrating-sample magnetometry. The magnetic properties<!--> <!-->were analyzed by measuring the temperature dependence of magnetization and magnetic hysteresis loops. The magnetic experiments demonstrated that the composition has a more significant impact on the BFTO magnetic response<!--> <!-->than the size effect. The results of this study suggest that the obtained materials have promising functional applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117734"},"PeriodicalIF":3.9,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142328240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-28DOI: 10.1016/j.mseb.2024.117713
David O. Idisi , Evans M. Benecha , Edson L Meyer
Owing to its potential for energy harvesting and storage, layered SnS2 has become increasingly popular in the energy storage and conversion community. The current study proposes a layered stacking configuration of SnS2/ graphene heterostructure, which could improve its stability and electronic transport properties for optoelectronic and solar cell applications. The study utilizes the first-principles Density Functional Theory approach to investigate the electronic and optical properties of bilayer and sandwich-layered SnS2/graphene heterostructures for energy storage applications. The low magnitude of the cohesive energy of SnS2 in both the bi- and sandwich cases () of both heterostructures reflect feasible experimental reproducibility. Additionally, a reduction of the band gap eV) with corresponding charge redistribution is observed, suggesting increased electron conductivity. The calculated density of states in both cases suggests increased formation of unoccupied orbital states, with prominence of the S 3p orbital states, depicting the capability of synergistic interaction with Sn and C atoms.
{"title":"First-principles study of the electronic and optical properties of layered SnS2/ graphene heterostructure","authors":"David O. Idisi , Evans M. Benecha , Edson L Meyer","doi":"10.1016/j.mseb.2024.117713","DOIUrl":"10.1016/j.mseb.2024.117713","url":null,"abstract":"<div><div>Owing to its potential for energy harvesting and storage, layered SnS<sub>2</sub> has become increasingly popular in the energy storage and conversion community. The current study proposes a layered stacking configuration of SnS<sub>2</sub>/ graphene heterostructure, which could improve its stability and electronic transport properties for optoelectronic and solar cell applications. The study utilizes the first-principles Density Functional Theory approach to investigate the electronic and optical properties of bilayer and sandwich-layered SnS<sub>2</sub>/graphene heterostructures for energy storage applications. The low magnitude of the cohesive energy of SnS<sub>2</sub> in both the bi- and sandwich cases (<span><math><mrow><mn>0.3604</mn><mspace></mspace><mo>→</mo><mn>0.0057</mn><mo>→</mo><mn>0.0522</mn><mspace></mspace><mi>e</mi><mi>V</mi></mrow></math></span>) of both heterostructures reflect feasible experimental reproducibility. Additionally, a reduction of the band gap <span><math><mrow><mo>(</mo><mn>2.338</mn><mo>→</mo><mn>0.604</mn><mo>→</mo><mn>0.595</mn></mrow></math></span> eV) with corresponding charge redistribution is observed, suggesting increased electron conductivity. The calculated density of states in both cases suggests increased formation of unoccupied orbital states, with prominence of the <em>S 3p</em> orbital states, depicting the capability of synergistic interaction with Sn and C atoms.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117713"},"PeriodicalIF":3.9,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-28DOI: 10.1016/j.mseb.2024.117735
Dadan Hadian , Anita Alni , Aep Patah , Nurrahmi Handayani , Muhammad Ali Zulfikar
This study aims to synthesize TiO2 with precise particle morphology, a large surface area, a stable anatase phase at high temperatures, and enhanced catalytic activity in the visible light spectrum. TiO2 was combined with ZnO and SiO2 to form a TiO2/ZnO/SiO2 composite (TZS). A TiO2/ZnO/SiO2 composite (TZS) was synthesized via sol–gel-hydrothermal method at 180 °C for 24 h employing a water-pyrrolidinium-based ionic liquid mixture. XRD analysis confirmed anatase, zincite, and amorphous silica phases post-calcination at 450 °C. Compared to water alone, TZS synthesized with the water-ILs media exhibited higher surface area and narrower band gap energy. TG-DTA analysis confirmed anatase phase stability up to 1000 °C. SEM and TEM images showed TZS particles synthesized using water as spherical, while the water-ILs mixture produced nanocoral, nanorod, and nanocubic morphologies. In photocatalysis, TZS synthesized with water-ILs removed Pb(II) ions by 99.98 %, surpassing water-synthesized TZS at 95.49 % indicating superior photocatalytic of TZS synthesized with water-ILs.
{"title":"Synthesis and characterization of TiO2/ZnO/SiO2 nanocomposite using pyrrolidinium-based ionic liquids via sol–gel-hydrothermal method for photocatalytic removal of Pb (II) ions","authors":"Dadan Hadian , Anita Alni , Aep Patah , Nurrahmi Handayani , Muhammad Ali Zulfikar","doi":"10.1016/j.mseb.2024.117735","DOIUrl":"10.1016/j.mseb.2024.117735","url":null,"abstract":"<div><div>This study aims to synthesize TiO<sub>2</sub> with precise particle morphology, a large surface area, a stable anatase phase at high temperatures, and enhanced catalytic activity in the visible light spectrum. TiO<sub>2</sub> was combined with ZnO and SiO<sub>2</sub> to form a TiO<sub>2</sub>/ZnO/SiO<sub>2</sub> composite (TZS). A TiO<sub>2</sub>/ZnO/SiO<sub>2</sub> composite (TZS) was synthesized via sol–gel-hydrothermal method at 180 °C for 24 h employing a water-pyrrolidinium-based ionic liquid mixture. XRD analysis confirmed anatase, zincite, and amorphous silica phases post-calcination at 450 °C. Compared to water alone, TZS synthesized with the water-ILs media exhibited higher surface area and narrower band gap energy. TG-DTA analysis confirmed anatase phase stability up to 1000 °C. SEM and TEM images showed TZS particles synthesized using water as spherical, while the water-ILs mixture produced nanocoral, nanorod, and nanocubic morphologies. In photocatalysis, TZS synthesized with water-ILs removed Pb(II) ions by 99.98 %, surpassing water-synthesized TZS at 95.49 % indicating superior photocatalytic of TZS synthesized with water-ILs.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"310 ","pages":"Article 117735"},"PeriodicalIF":3.9,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142327557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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