Pub Date : 2025-02-01DOI: 10.1016/j.surfin.2025.105827
Juan Xie , Shuaihui Li , Wen He , Zheyu Ding , Zhenzhen Lu , Xucheng Zhao
The action mechanisms of crumb rubber (CR) and graft-activated crumb rubber (GACR) on the high temperature properties of modified asphalt and their adhesion to aggregate were investigated through molecular dynamics simulation. From the molecular level analysis, grafting activation changed the arrangement and distribution of modified asphalt molecules, enhanced the binding capacity, and limited the free movement and diffusion of molecules. The strong ductility and polarity of GACR could promote the entanglement of polar molecules and increase the viscosity of the system. In the process of interaction with aggregate, compared with crumb rubber modified asphalt (CRMA), it was found that GACR modified asphalt (GACRMA) diffused rapidly to the surface of aggregate, the proportion of polar components at the proximal end of aggregate was high, and the effect of spreading and adhesion was better. This was the result of the interaction between GACR and polar molecules in asphalt and the multiple effects of van der Waals forces and hydrogen bonds derived from aggregate. The macroscopic experiments confirmed the accuracy of the simulation, indicating that molecular simulation can effectively reveal the modification mechanism and predict the properties of modified asphalt.
{"title":"Molecular simulation of graft-activated crumb rubber modified asphalt: A study on high temperature performance and its interface behavior with aggregate","authors":"Juan Xie , Shuaihui Li , Wen He , Zheyu Ding , Zhenzhen Lu , Xucheng Zhao","doi":"10.1016/j.surfin.2025.105827","DOIUrl":"10.1016/j.surfin.2025.105827","url":null,"abstract":"<div><div>The action mechanisms of crumb rubber (CR) and graft-activated crumb rubber (GACR) on the high temperature properties of modified asphalt and their adhesion to aggregate were investigated through molecular dynamics simulation. From the molecular level analysis, grafting activation changed the arrangement and distribution of modified asphalt molecules, enhanced the binding capacity, and limited the free movement and diffusion of molecules. The strong ductility and polarity of GACR could promote the entanglement of polar molecules and increase the viscosity of the system. In the process of interaction with aggregate, compared with crumb rubber modified asphalt (CRMA), it was found that GACR modified asphalt (GACRMA) diffused rapidly to the surface of aggregate, the proportion of polar components at the proximal end of aggregate was high, and the effect of spreading and adhesion was better. This was the result of the interaction between GACR and polar molecules in asphalt and the multiple effects of van der Waals forces and hydrogen bonds derived from aggregate. The macroscopic experiments confirmed the accuracy of the simulation, indicating that molecular simulation can effectively reveal the modification mechanism and predict the properties of modified asphalt.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"58 ","pages":"Article 105827"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-02-01DOI: 10.1016/j.surfin.2025.105963
Pei Wang, Chenglong Li, Yue Dong, Yang Li, Zhitai Jia, Xutang Tao, Wenxiang Mu
High crystal quality in both the substrate and epitaxy ensures the performance and stability of semiconductor devices. However, due to its low symmetry structure, a variety of crystal defects are easily formed in β-Ga2O3. Specifically, low angle grain boundaries (LAGBs) can limit the single crystal size of the β-Ga2O3 substrate, thereby reducing the yield of single crystal substrates. In this work, [010] tilt LAGBs were observed on the surface of (010) β-Ga2O3 wafer following wet chemical etching, and the etching morphology of the [010] tilt LAGBs showed “bending line segment”. The orientation analysis of the (010) β-Ga2O3 wafer indicates that most of the [010] tilt LAGBs in β-Ga2O3 bulk crystals have orientation difference angles of <2°. Transmission electron microscope (TEM) results indicate the presence of edge dislocations in the vicinity of [010] tilt LAGBs. The geometric shape of [010] tilt LAGBs in β-Ga2O3 crystals was obtained, and the formation mechanism was explained in conjunction with the crystal growth mechanism. Furthermore, [010] tilt LAGBs can result in the appearance of double peaks in X-ray rocking curves due to their capacity to disrupt the integrity of single crystals and to cause orientation differences between grains.
{"title":"The [010] tilt low angle grain boundaries in bulk β-Ga2O3 crystals grown by EFG method","authors":"Pei Wang, Chenglong Li, Yue Dong, Yang Li, Zhitai Jia, Xutang Tao, Wenxiang Mu","doi":"10.1016/j.surfin.2025.105963","DOIUrl":"10.1016/j.surfin.2025.105963","url":null,"abstract":"<div><div>High crystal quality in both the substrate and epitaxy ensures the performance and stability of semiconductor devices. However, due to its low symmetry structure, a variety of crystal defects are easily formed in <em>β</em>-Ga<sub>2</sub>O<sub>3</sub>. Specifically, low angle grain boundaries (LAGBs) can limit the single crystal size of the <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> substrate, thereby reducing the yield of single crystal substrates. In this work, [010] tilt LAGBs were observed on the surface of (010) <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> wafer following wet chemical etching, and the etching morphology of the [010] tilt LAGBs showed “bending line segment”. The orientation analysis of the (010) <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> wafer indicates that most of the [010] tilt LAGBs in <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> bulk crystals have orientation difference angles of <2°. Transmission electron microscope (TEM) results indicate the presence of edge dislocations in the vicinity of [010] tilt LAGBs. The geometric shape of [010] tilt LAGBs in <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> crystals was obtained, and the formation mechanism was explained in conjunction with the crystal growth mechanism. Furthermore, [010] tilt LAGBs can result in the appearance of double peaks in X-ray rocking curves due to their capacity to disrupt the integrity of single crystals and to cause orientation differences between grains.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"59 ","pages":"Article 105963"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-02-01DOI: 10.1016/j.surfin.2025.105812
Diana Vanda Wellia , Feri Ardiansyah , Alice Lim , Syukri Arief , Riki Subagyo , Atthar Luqman Ivansyah , Xiongfang Liu , Sri Hartati , Afif Akmal Afkauni , Lei Zhang , Chi Sin Tang , Xinmao Yin , Caozheng Diao , Mark B.H. Breese , Arramel , Yuly Kusumawati
The precise control of electronic structure in nitrogen-doped titanium dioxide (N-TiO2) is crucial for optimizing its optoelectronic performance. In this study, N-TiO2 films were prepared via an in-situ hydrothermal method by varying the urea concentrations. Surface-sensitive X-ray photoelectron (XPS) and high-brilliance synchrotron-based X-ray absorption (XAS) spectroscopy is employed to probe the electronic and local structural modifications. Despite an incremental change of urea concentration, the chemical state of Ti4+ state is preserved within the experimental conditions. This is possible since the stabilized oxygen vacancies is accessible by hosting electrons at the neighbouring Ti atoms, and altering the Ti–N/O bond geometries. The XAS further revealed distinct orbital features within the Ti L3-edge in which t2g and eg peak splitting are highlighted the D2d symmetry of anatase. The incorporation of nitrogen enhanced N 2p–O 2p hybridization, weakening Ti 3d–O 2p hybridization. The fluctuating trend in the area ratio of eg (dz2) orbital infers direct evidence of the electron redistribution within Ti 3d–O 2p orbitals along the z-axis. These findings were corroborated in a similar trend shown at the pre-edge features, indicating the unprecedented charge carrier dynamics in this doped TiO2 system. These synchrotron-based measurements unveil the electronic modifications of N-TiO2, paving the way for the rational design of tunable heteroatom-doped metal oxides materials.
{"title":"Synergistic effects of heteroatom engineering in N-doped TiO2 films probed by X-ray absorption and photoelectron spectroscopy","authors":"Diana Vanda Wellia , Feri Ardiansyah , Alice Lim , Syukri Arief , Riki Subagyo , Atthar Luqman Ivansyah , Xiongfang Liu , Sri Hartati , Afif Akmal Afkauni , Lei Zhang , Chi Sin Tang , Xinmao Yin , Caozheng Diao , Mark B.H. Breese , Arramel , Yuly Kusumawati","doi":"10.1016/j.surfin.2025.105812","DOIUrl":"10.1016/j.surfin.2025.105812","url":null,"abstract":"<div><div>The precise control of electronic structure in nitrogen-doped titanium dioxide (N-TiO<sub>2</sub>) is crucial for optimizing its optoelectronic performance. In this study, N-TiO<sub>2</sub> films were prepared via an <em>in</em>-<em>situ</em> hydrothermal method by varying the urea concentrations. Surface-sensitive X-ray photoelectron (XPS) and high-brilliance synchrotron-based X-ray absorption (XAS) spectroscopy is employed to probe the electronic and local structural modifications. Despite an incremental change of urea concentration, the chemical state of Ti<sup>4+</sup> state is preserved within the experimental conditions. This is possible since the stabilized oxygen vacancies is accessible by hosting electrons at the neighbouring Ti atoms, and altering the Ti–N/O bond geometries. The XAS further revealed distinct orbital features within the Ti L<sub>3</sub>-edge in which t<sub>2g</sub> and e<sub>g</sub> peak splitting are highlighted the <em>D<sub>2d</sub></em> symmetry of anatase. The incorporation of nitrogen enhanced N 2<em>p</em>–O 2<em>p</em> hybridization, weakening Ti 3<em>d</em>–O 2<em>p</em> hybridization. The fluctuating trend in the area ratio of e<sub>g</sub> (d<sub>z</sub><sup>2</sup>) orbital infers direct evidence of the electron redistribution within Ti 3<em>d</em>–O 2<em>p</em> orbitals along the z-axis. These findings were corroborated in a similar trend shown at the pre-edge features, indicating the unprecedented charge carrier dynamics in this doped TiO<sub>2</sub> system. These synchrotron-based measurements unveil the electronic modifications of N-TiO<sub>2</sub>, paving the way for the rational design of tunable heteroatom-doped metal oxides materials.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"58 ","pages":"Article 105812"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Carbon dioxide emissions significantly impact the global climate. Utilizing carbon sequestration to convert carbon dioxide gas into stabilized carbonate minerals can help reduce greenhouse gas emissions. Superhydrophobic surfaces are widely used but their cost is too high. In this paper, fly ash was modified with nanoparticles using carbon dioxide. A low-cost fly ash superhydrophobic surface was prepared using a two-step spraying method, which has good durability under wet and cold conditions while also sequestering carbon dioxide and alleviating the greenhouse effect. The coating could achieve superhydrophobic conditions when the modification conditions were 20 °C, 960 r·min-1, 3–5 wt% Ca(OH)2, and the CO2 flow rate was controlled within 120 mL min-1. The coating has excellent freeze-thaw resistance and retains its hydrophobic properties after being tested in >15 freeze-thaw cycles.
{"title":"Enhanced carbonation synthesis of FA-CaCO3 micro-nanostructures and investigation of its coating’ s superhydrophobic properties","authors":"Huiping Song, Zhenlian Fan, Mingxiu Tang, Weitao Song, Shuyan Cheng","doi":"10.1016/j.surfin.2025.105841","DOIUrl":"10.1016/j.surfin.2025.105841","url":null,"abstract":"<div><div>Carbon dioxide emissions significantly impact the global climate. Utilizing carbon sequestration to convert carbon dioxide gas into stabilized carbonate minerals can help reduce greenhouse gas emissions. Superhydrophobic surfaces are widely used but their cost is too high. In this paper, fly ash was modified with nanoparticles using carbon dioxide. A low-cost fly ash superhydrophobic surface was prepared using a two-step spraying method, which has good durability under wet and cold conditions while also sequestering carbon dioxide and alleviating the greenhouse effect. The coating could achieve superhydrophobic conditions when the modification conditions were 20 °C, 960 r·min<sup>-1</sup>, 3–5 wt% Ca(OH)<sub>2</sub>, and the CO<sub>2</sub> flow rate was controlled within 120 mL min<sup>-1</sup>. The coating has excellent freeze-thaw resistance and retains its hydrophobic properties after being tested in >15 freeze-thaw cycles.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"58 ","pages":"Article 105841"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097164","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-02-01DOI: 10.1016/j.surfin.2025.105864
Yu Yang , Zhikun Xu , Tianle Li , Xinzhi Ma , Shuangyan Lin
The development of versatile oxygen evolution reaction (OER) electrocatalysts for ampere-level seawater electrolysis holds enormous promise for clean energy generation. Still, it is hindered by the competing chlorine evolution and severe chloride corrosion. Herein, the V and Fe dual-doped Ni3S2/Ni(OH)2 (VFe-Ni3S2/Ni(OH)2) heterostructure was fabricated on nickel foam as an OER catalyst for direct seawater electrolysis. The dual-doping of V and Fe optimizes the electronic structure cooperatively, improves conductivity, and enriches active sites of Ni3S2/Ni(OH)2, boosting OER performance at ampere-level current density. The optimal electrode V0.03Fe-Ni3S2/Ni(OH)2 requires only 385 mV overpotential to arrive 1 A/cm2 and works stably for over 100 h at 100 mA/cm2 in seawater electrolyte. The assembled electrolyzer V0.03Fe-Ni3S2/Ni(OH)2||Pt/C exhibited a cell voltage of 1.52 V at 10 mA/cm2 with a noteworthy stability of 100 h at 100 mA/cm2 for seawater electrolysis, providing huge potential for hydrogen production from seawater.
{"title":"V and Fe dual-doping modulated the electronic structures of Ni3S2/Ni(OH)2 for ampere-level seawater oxidation","authors":"Yu Yang , Zhikun Xu , Tianle Li , Xinzhi Ma , Shuangyan Lin","doi":"10.1016/j.surfin.2025.105864","DOIUrl":"10.1016/j.surfin.2025.105864","url":null,"abstract":"<div><div>The development of versatile oxygen evolution reaction (OER) electrocatalysts for ampere-level seawater electrolysis holds enormous promise for clean energy generation. Still, it is hindered by the competing chlorine evolution and severe chloride corrosion. Herein, the V and Fe dual-doped Ni<sub>3</sub>S<sub>2</sub>/Ni(OH)<sub>2</sub> (VFe-Ni<sub>3</sub>S<sub>2</sub>/Ni(OH)<sub>2</sub>) heterostructure was fabricated on nickel foam as an OER catalyst for direct seawater electrolysis. The dual-doping of V and Fe optimizes the electronic structure cooperatively, improves conductivity, and enriches active sites of Ni<sub>3</sub>S<sub>2</sub>/Ni(OH)<sub>2</sub>, boosting OER performance at ampere-level current density. The optimal electrode V<sub>0.03</sub>Fe-Ni<sub>3</sub>S<sub>2</sub>/Ni(OH)<sub>2</sub> requires only 385 mV overpotential to arrive 1 A/cm<sup>2</sup> and works stably for over 100 h at 100 mA/cm<sup>2</sup> in seawater electrolyte. The assembled electrolyzer V<sub>0.03</sub>Fe-Ni<sub>3</sub>S<sub>2</sub>/Ni(OH)<sub>2</sub>||Pt/C exhibited a cell voltage of 1.52 V at 10 mA/cm<sup>2</sup> with a noteworthy stability of 100 h at 100 mA/cm<sup>2</sup> for seawater electrolysis, providing huge potential for hydrogen production from seawater.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"58 ","pages":"Article 105864"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-02-01DOI: 10.1016/j.surfin.2025.105792
Thi Thuy Trang Truong , Thi Kim Chi Tran , Thi Ngan Vu , Thi Duyen Tran , Huy Tuan Dat Pham , Khanh An Nguyen , Duc Anh Pham , Ha Vy Nguyen , Thanh Binh Nguyen , Tien Duc Pham
Novel Al2O3/SiO2 nanocomposites were successfully synthesized utilizing rice husk as a precursor. Comprehensive characterization of the Al2O3/SiO2 nanocomposites was performed using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), energy-dispersive Xray spectroscopy (EDX), transmission electron microscopy (TEM), and zeta potential analysis. The nanocomposites achieved high removal efficiencies exceeding 90 % for emerging antibiotics, ciprofloxacin (CFX) and ofloxacin (OFX). Optimal conditions for CFX the removal were determined to be a pH of 7, a contact time of 90 min, and an adsorbent dosage of 10 mg/mL while for OFX the optimum paramerers were a pH of 5, a contact time of 60 min, and an adsorbent dosage of 5 mg/mL. The maximum adsorption capacities for CFX and OFX were found to be 124.8 and 22.5 mg/g, respectively. The adsorption processes for both CFX and OFX on the Al2O3/SiO2 nanocomposites follow the pseudo-second-order kinetic and the Freundlich isotherm models, suggesting multilayer chemical adsorption with the interaction force mainly driven by electrostatic interactions. The Al2O3/SiO2 nanocomposites exhibited reusability, retaining over 60 % removal efficiency after four reuse cycles. These results highlight the substainbility for the Al2O3/SiO2 nanocomposites derived from nanosilica rice husk for the removal of antibiotics from aqueous environments.
{"title":"Highly adsorptive removal of emerging antibiotics in water using novel Al2O3/SiO2 nanocomposites fabricated from rice husk","authors":"Thi Thuy Trang Truong , Thi Kim Chi Tran , Thi Ngan Vu , Thi Duyen Tran , Huy Tuan Dat Pham , Khanh An Nguyen , Duc Anh Pham , Ha Vy Nguyen , Thanh Binh Nguyen , Tien Duc Pham","doi":"10.1016/j.surfin.2025.105792","DOIUrl":"10.1016/j.surfin.2025.105792","url":null,"abstract":"<div><div>Novel Al<sub>2</sub>O<sub>3</sub>/SiO<sub>2</sub> nanocomposites were successfully synthesized utilizing rice husk as a precursor. Comprehensive characterization of the Al<sub>2</sub>O<sub>3</sub>/SiO<sub>2</sub> nanocomposites was performed using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), energy-dispersive Xray spectroscopy (EDX), transmission electron microscopy (TEM), and zeta potential analysis. The nanocomposites achieved high removal efficiencies exceeding 90 % for emerging antibiotics, ciprofloxacin (CFX) and ofloxacin (OFX). Optimal conditions for CFX the removal were determined to be a pH of 7, a contact time of 90 min, and an adsorbent dosage of 10 mg/mL while for OFX the optimum paramerers were a pH of 5, a contact time of 60 min, and an adsorbent dosage of 5 mg/mL. The maximum adsorption capacities for CFX and OFX were found to be 124.8 and 22.5 mg/g, respectively. The adsorption processes for both CFX and OFX on the Al<sub>2</sub>O<sub>3</sub>/SiO<sub>2</sub> nanocomposites follow the pseudo-second-order kinetic and the Freundlich isotherm models, suggesting multilayer chemical adsorption with the interaction force mainly driven by electrostatic interactions. The Al<sub>2</sub>O<sub>3</sub>/SiO<sub>2</sub> nanocomposites exhibited reusability, retaining over 60 % removal efficiency after four reuse cycles. These results highlight the substainbility for the Al<sub>2</sub>O<sub>3</sub>/SiO<sub>2</sub> nanocomposites derived from nanosilica rice husk for the removal of antibiotics from aqueous environments.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"58 ","pages":"Article 105792"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101093","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-02-01DOI: 10.1016/j.surfin.2025.105769
I. Loyola Poul Raj , K. Hari Prasad , S. Vinoth , S. Valanarasu , A. Vimala Juliet , Thamraa Alshahrani , Mohd Shkir
Developing a rapid, convenient, accurate and room temperature detection of the toxic or harmful gases which directly affects people's lives is an urgent requirement to protect living beings especially humans. With this purpose, present meticulous study aims on preparing transition metal ion of Bi3+ doped indium oxide (In2O3) thin films containing different amount of Bi (0, 1, 2, 3, 4, and 5 wt %) by executing nebulizer spray pyrolysis technique as a future room temperature ammonia gas sensor. All the formed films are found in cubic phase and display a strong orientation along (222) plane. The In2O3 film doped with 2wt% of Bi exhibited maximum values in terms of crystallite size (54 nm) and unit cell volume (1003.67 Å3). The FESEM images of all the investigated films indicate the appearance of fine grains. Modest reduction in the bandgap from 3.25 to 3.10 eV is observed along with the increase in the Bi-doping concentration. Presence of various defect states at 418, 480, 524 nm and enhancement of photoluminescence is seen by room temperature photoluminescence measurements. All the coated films are used as chemiresistive gas sensors by testing ammonia response at room temperature. Noticeably, In2O3 thin film having 2 wt% Bi showed an excellent ammonia response (130 with concentration of 150 ppm), short response/recovery time (4.31s/3.8 s), and remarkable selectivity than that of bare In2O3. We believe that these results can provide an appropriate solution for public safety as well as for industrial purpose.
{"title":"High sensitive room temperature NH3 gas sensing properties of Bi-doped In2O3 thin films coated by nebulizer spray pyrolysis method","authors":"I. Loyola Poul Raj , K. Hari Prasad , S. Vinoth , S. Valanarasu , A. Vimala Juliet , Thamraa Alshahrani , Mohd Shkir","doi":"10.1016/j.surfin.2025.105769","DOIUrl":"10.1016/j.surfin.2025.105769","url":null,"abstract":"<div><div>Developing a rapid, convenient, accurate and room temperature detection of the toxic or harmful gases which directly affects people's lives is an urgent requirement to protect living beings especially humans. With this purpose, present meticulous study aims on preparing transition metal ion of Bi<sup>3+</sup> doped indium oxide (In<sub>2</sub>O<sub>3</sub>) thin films containing different amount of Bi (0, 1, 2, 3, 4, and 5 wt %) by executing nebulizer spray pyrolysis technique as a future room temperature ammonia gas sensor. All the formed films are found in cubic phase and display a strong orientation along (222) plane. The In<sub>2</sub>O<sub>3</sub> film doped with 2wt% of Bi exhibited maximum values in terms of crystallite size (54 nm) and unit cell volume (1003.67 Å<sup>3</sup>). The FESEM images of all the investigated films indicate the appearance of fine grains. Modest reduction in the bandgap from 3.25 to 3.10 eV is observed along with the increase in the Bi-doping concentration. Presence of various defect states at 418, 480, 524 nm and enhancement of photoluminescence is seen by room temperature photoluminescence measurements. All the coated films are used as chemiresistive gas sensors by testing ammonia response at room temperature. Noticeably, In<sub>2</sub>O<sub>3</sub> thin film having 2 wt% Bi showed an excellent ammonia response (130 with concentration of 150 ppm), short response/recovery time (4.31s/3.8 s), and remarkable selectivity than that of bare In<sub>2</sub>O<sub>3</sub>. We believe that these results can provide an appropriate solution for public safety as well as for industrial purpose.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"58 ","pages":"Article 105769"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The detection of glucose (GLU) levels in the human body is a significant research focus because of the rising demand for accurate and efficient GLU monitoring systems. The current research focuses on forming MoTe2/rGO heterostructure for enhancing the GLU adsorption performance of pristine MoTe2 monolayer through first-principles Density Functional Theory (DFT) simulations since the GLU adsorption on the pristine MoTe2 monolayer is physisorption (-0.4 eV). DFT simulations were performed to explore the electronic structure, adsorption energies, and charge transfer mechanisms within the heterostructure upon GLU molecule interaction. The result indicates that the unique combination of semiconducting MoTe2 and rGO monolayers offered synergistic properties that enhanced the GLU adsorption capabilities of MoTe2 by changing the GLU adsorption to chemisorption (-1.05 eV). Furthermore, the charge transfer analysis reveals substantial charge transfer from GLU to the heterostructure, facilitating effective electronic signal modulation. As per the Ab initio molecular dynamic simulations, the heterostructure is structurally stable at 300 K. The reusability of the GLU sensor based on the MoTe2/rGO can be attained within 17 s at 400 K. The work function sensitivity of the MoTe2 towards GLU has doubled twice after the heterojunction formation with rGO. Our findings propose that the MoTe2/rGO heterostructure exhibits promising characteristics for developing highly sensitive GLU sensors. The study provides a theoretical basis for experimentalists to explore this heterostructure in practical GLU detection applications.
{"title":"Optimizing the glucose sensing performance in 2D MoTe2 via vdW heterojunction formation with rGO: A DFT approach","authors":"Seetha Lakshmy , Manikandan Kandasamy , Nandakumar Kalarikkal , Brahmananda Chakraborty","doi":"10.1016/j.surfin.2025.105852","DOIUrl":"10.1016/j.surfin.2025.105852","url":null,"abstract":"<div><div>The detection of glucose (GLU) levels in the human body is a significant research focus because of the rising demand for accurate and efficient GLU monitoring systems. The current research focuses on forming MoTe<sub>2</sub>/rGO heterostructure for enhancing the GLU adsorption performance of pristine MoTe<sub>2</sub> monolayer through first-principles Density Functional Theory (DFT) simulations since the GLU adsorption on the pristine MoTe<sub>2</sub> monolayer is physisorption (-0.4 eV). DFT simulations were performed to explore the electronic structure, adsorption energies, and charge transfer mechanisms within the heterostructure upon GLU molecule interaction. The result indicates that the unique combination of semiconducting MoTe<sub>2</sub> and rGO monolayers offered synergistic properties that enhanced the GLU adsorption capabilities of MoTe<sub>2</sub> by changing the GLU adsorption to chemisorption (-1.05 eV). Furthermore, the charge transfer analysis reveals substantial charge transfer from GLU to the heterostructure, facilitating effective electronic signal modulation. As per the Ab initio molecular dynamic simulations, the heterostructure is structurally stable at 300 K. The reusability of the GLU sensor based on the MoTe<sub>2</sub>/rGO can be attained within 17 s at 400 K. The work function sensitivity of the MoTe<sub>2</sub> towards GLU has doubled twice after the heterojunction formation with rGO. Our findings propose that the MoTe<sub>2</sub>/rGO heterostructure exhibits promising characteristics for developing highly sensitive GLU sensors. The study provides a theoretical basis for experimentalists to explore this heterostructure in practical GLU detection applications.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"58 ","pages":"Article 105852"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-02-01DOI: 10.1016/j.surfin.2025.105825
Umakanta Patra, Faiha Mujeeb, Abhiram K, Jai Israni, Subhabrata Dhar
Bilayer (2 L) transition metal dichalcogenides (TMD) have the ability to host interlayer excitons, where electron and hole parts are spatially separated that leads to much longer lifetime as compared to direct excitons. This property can be utilized for the development of exciton-based logic devices, which are supposed to be superior in terms of energy efficiency and optical communication compatibility as compared to their electronic counterparts. However, obtaining uniformly thick bilayer epitaxial films with large area coverage is challenging. Here, we have engineered the flow pattern of the precursors over the substrate surface to obtain continuous strictly bilayer MoS2 films covering several tens of mm2 on SiO2 by chemical vapour deposition (CVD) technique without any plasma treatment of the substrate prior to the growth. Bilayer nature of these films is confirmed by Raman, low-frequency Raman, atomic force microscopy (AFM) and photoluminescence (PL) studies. The uniformity of the film has been checked by Raman peak separation and PL intensity map. High resolution transmission electron microscopy (HRTEM) reveals that crystalline and twisted bilayer islands coexist within the layer. Back gated field-effect transistor (FET) structures fabricated on the bilayers show on/off ratio of 106 and subthreshold swings (SS) of 2.5V/Decade.
{"title":"Controlled growth of millimeter-size continuous bilayer MoS2 films on SiO2 substrates by chemical vapour deposition technique","authors":"Umakanta Patra, Faiha Mujeeb, Abhiram K, Jai Israni, Subhabrata Dhar","doi":"10.1016/j.surfin.2025.105825","DOIUrl":"10.1016/j.surfin.2025.105825","url":null,"abstract":"<div><div>Bilayer (2 L) transition metal dichalcogenides (TMD) have the ability to host interlayer excitons, where electron and hole parts are spatially separated that leads to much longer lifetime as compared to direct excitons. This property can be utilized for the development of exciton-based logic devices, which are supposed to be superior in terms of energy efficiency and optical communication compatibility as compared to their electronic counterparts. However, obtaining uniformly thick bilayer epitaxial films with large area coverage is challenging. Here, we have engineered the flow pattern of the precursors over the substrate surface to obtain continuous strictly bilayer MoS<sub>2</sub> films covering several tens of mm<sup>2</sup> on SiO<sub>2</sub> by chemical vapour deposition (CVD) technique without any plasma treatment of the substrate prior to the growth. Bilayer nature of these films is confirmed by Raman, low-frequency Raman, atomic force microscopy (AFM) and photoluminescence (PL) studies. The uniformity of the film has been checked by Raman peak separation and PL intensity map. High resolution transmission electron microscopy (HRTEM) reveals that crystalline and twisted bilayer islands coexist within the layer. Back gated field-effect transistor (FET) structures fabricated on the bilayers show on/off ratio of 10<sup>6</sup> and subthreshold swings (SS) of 2.5V/Decade.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"58 ","pages":"Article 105825"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2025-02-01DOI: 10.1016/j.surfin.2025.105894
Yanqi Xu , Rongrong Chen , Cunjun Li , Hai Wang , Shuzhen Ma , Linjiang Wang
To achieve prolonged photocathodic protection (PCP) of 304 stainless steel (304SS) in marine environments, effective charge mobility and electron storage within the photoanodes are essential. In this study, ternary NiFeCo-layered double hydroxide nanoarrays on titanium foil (Ti/NiFeCo-LDH) were synthesized to enable PCP for 304SS. The engineered active Co sites in Ti/NiFeCo-LDH play a dual role: they adjust the electronic and band structures and act as efficient reductants, creating oxygen vacancies that enhance electron transfer from Ti/NiFeCo-LDH to 304SS. Consequently, the fabricated Ti/NiFeCo-LDH exhibits highly efficient PCP for 304SS in simulated seawater, achieving an open circuit potential (OCP) of −803 mV in the dark and maintaining a consistent potential of -760 mV over 82 h. This research presents a significant advancement in developing efficient photoanodes for PCP in metallic materials.
{"title":"Engineered active Co sites in ternary NiFeCo-layered double hydroxide nanoarrays for highly-efficient photocathodic protection of 304 stainless steel in the dark","authors":"Yanqi Xu , Rongrong Chen , Cunjun Li , Hai Wang , Shuzhen Ma , Linjiang Wang","doi":"10.1016/j.surfin.2025.105894","DOIUrl":"10.1016/j.surfin.2025.105894","url":null,"abstract":"<div><div>To achieve prolonged photocathodic protection (PCP) of 304 stainless steel (304SS) in marine environments, effective charge mobility and electron storage within the photoanodes are essential. In this study, ternary NiFeCo-layered double hydroxide nanoarrays on titanium foil (Ti/NiFeCo-LDH) were synthesized to enable PCP for 304SS. The engineered active Co sites in Ti/NiFeCo-LDH play a dual role: they adjust the electronic and band structures and act as efficient reductants, creating oxygen vacancies that enhance electron transfer from Ti/NiFeCo-LDH to 304SS. Consequently, the fabricated Ti/NiFeCo-LDH exhibits highly efficient PCP for 304SS in simulated seawater, achieving an open circuit potential (OCP) of −803 mV in the dark and maintaining a consistent potential of -760 mV over 82 h. This research presents a significant advancement in developing efficient photoanodes for PCP in metallic materials.</div></div>","PeriodicalId":22081,"journal":{"name":"Surfaces and Interfaces","volume":"58 ","pages":"Article 105894"},"PeriodicalIF":5.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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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