Herein, a model is proposed for measuring the structural defects size r0 in an ultrathin magnetic layer with perpendicular magnetic anisotropy. Based on the observations of magnetic domains in Ta/Pt/Co/Pt ultrathin films, using polar magneto‐optical Kerr effect microscopy and measurements of their magnetic anisotropies, the correlation between magnetic domains size D and structural defects size r0, as well as the defects concentration parameter αK, which designates the degree of pinning, has been modeled. The average r0 value found is high in the sample with unannealed buffer layers and considerably decreases with annealing. It is 6.17 nm with unannealed Ta/Pt buffer layers, 1.06 nm in sample with Ta/Pt buffer layers annealed at 423 K, and 0.49 nm in that with buffer layers annealed at 573 K. The significant drop of r0 is in good agreement with the high depinning noted with buffer layers annealing in recent work.
本文提出了一个测量具有垂直磁各向异性的超薄磁层中结构缺陷尺寸 r0 的模型。利用极磁光克尔效应显微镜观察 Ta/Pt/Co/Pt 超薄薄膜中的磁畴，并测量其磁各向异性，在此基础上建立了磁畴尺寸 D 和结构缺陷尺寸 r0 之间的相关性模型，以及表示钉化程度的缺陷浓度参数 αK。在未退火缓冲层的样品中发现的平均 r0 值较高，并随着退火而大幅降低。未退火的钽/铂缓冲层的 r0 值为 6.17 nm，在 423 K 退火的钽/铂缓冲层样品中为 1.06 nm，在 573 K 退火的缓冲层样品中为 0.49 nm。
{"title":"Magnetic Domain and Structural Defects Size in Ultrathin Films","authors":"Assiongbon Adanlété Adjanoh, Tchilabalo Pakam, Serge Dzo Mawuefa Afenyiveh","doi":"10.1002/pssr.202400215","DOIUrl":"https://doi.org/10.1002/pssr.202400215","url":null,"abstract":"Herein, a model is proposed for measuring the structural defects size <jats:italic>r</jats:italic><jats:sub>0</jats:sub> in an ultrathin magnetic layer with perpendicular magnetic anisotropy. Based on the observations of magnetic domains in Ta/Pt/Co/Pt ultrathin films, using polar magneto‐optical Kerr effect microscopy and measurements of their magnetic anisotropies, the correlation between magnetic domains size <jats:italic>D</jats:italic> and structural defects size <jats:italic>r</jats:italic><jats:sub>0</jats:sub>, as well as the defects concentration parameter <jats:italic>α</jats:italic><jats:sub>K</jats:sub>, which designates the degree of pinning, has been modeled. The average <jats:italic>r</jats:italic><jats:sub>0</jats:sub> value found is high in the sample with unannealed buffer layers and considerably decreases with annealing. It is 6.17 nm with unannealed Ta/Pt buffer layers, 1.06 nm in sample with Ta/Pt buffer layers annealed at 423 K, and 0.49 nm in that with buffer layers annealed at 573 K. The significant drop of <jats:italic>r</jats:italic><jats:sub>0</jats:sub> is in good agreement with the high depinning noted with buffer layers annealing in recent work.","PeriodicalId":54619,"journal":{"name":"Physica Status Solidi-Rapid Research Letters","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xin Gu, Diancheng Zhu, Shouxi Xu, Jing Hu, Miao Cheng, Tao Wei, Qianqian Liu, Ruirui Wang, Wanfei Li, Yun Ling, Bo Liu
Developing room temperature (RT) gas sensor based on metal oxide semiconductor material has long been challenging. Herein, a 1D hierarchical Ag‐modified Cu@Cu2O/CuO nanocomposite has been designed by low‐temperature etching self‐assembly combined with photochemical deposition method based on Cu nanowires (NWs). After a step of alkaline solution etching, the surface of Cu NWs is self‐assembled to form a hierarchical Cu@Cu2O/CuO, and then Ag nanoparticles are modified on its surface by photochemical deposition to obtain the desired material. All the preparation processes are carried out at RT and have good controllability. When applied as sensing material, the optimal Cu@Cu2O/CuO/Ag nanocomposite exhibits high response of ≈337.0 to 10 ppm NO2 with excellent selectivity and fast response/recovery (60/400 s) at 25 °C. It is worth noting that such a strategy of loading Ag nanoparticles improves its gas sensitivity by about 42.4 times, and the resulting sensor shows good sensitivity and screening ability to NO2 in the low concentration range. Finally, the nanostructure of the material is characterized systematically and the sensing mechanism is discussed.
{"title":"Photochemical Fabrication of Ag‐Modified Hierarchical Cu@Cu2O/CuO Nanocomposite Toward Room Temperature NO2 Detection","authors":"Xin Gu, Diancheng Zhu, Shouxi Xu, Jing Hu, Miao Cheng, Tao Wei, Qianqian Liu, Ruirui Wang, Wanfei Li, Yun Ling, Bo Liu","doi":"10.1002/pssr.202400223","DOIUrl":"https://doi.org/10.1002/pssr.202400223","url":null,"abstract":"Developing room temperature (RT) gas sensor based on metal oxide semiconductor material has long been challenging. Herein, a 1D hierarchical Ag‐modified Cu@Cu<jats:sub>2</jats:sub>O/CuO nanocomposite has been designed by low‐temperature etching self‐assembly combined with photochemical deposition method based on Cu nanowires (NWs). After a step of alkaline solution etching, the surface of Cu NWs is self‐assembled to form a hierarchical Cu@Cu<jats:sub>2</jats:sub>O/CuO, and then Ag nanoparticles are modified on its surface by photochemical deposition to obtain the desired material. All the preparation processes are carried out at RT and have good controllability. When applied as sensing material, the optimal Cu@Cu<jats:sub>2</jats:sub>O/CuO/Ag nanocomposite exhibits high response of ≈337.0 to 10 ppm NO<jats:sub>2</jats:sub> with excellent selectivity and fast response/recovery (60/400 s) at 25 °C. It is worth noting that such a strategy of loading Ag nanoparticles improves its gas sensitivity by about 42.4 times, and the resulting sensor shows good sensitivity and screening ability to NO<jats:sub>2</jats:sub> in the low concentration range. Finally, the nanostructure of the material is characterized systematically and the sensing mechanism is discussed.","PeriodicalId":54619,"journal":{"name":"Physica Status Solidi-Rapid Research Letters","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Maria Rita Cicconi, Tomokatsu Hayakawa, Brahim Dkhil, Marin Alexe
{"title":"Materials for Energy Conversion Systems: Fundamentals, Designs, and Applications","authors":"Maria Rita Cicconi, Tomokatsu Hayakawa, Brahim Dkhil, Marin Alexe","doi":"10.1002/pssr.202400251","DOIUrl":"https://doi.org/10.1002/pssr.202400251","url":null,"abstract":"","PeriodicalId":54619,"journal":{"name":"Physica Status Solidi-Rapid Research Letters","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211362","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Haruto Hashimoto, Ryohei Oka, Tomokatsu Hayakawa, Christoph Brabec
{"title":"Bandgap and Photoluminescence Tunability of Lead‐Free Cs3Bi2(Br,I)9 Solid Solution Compounds","authors":"Haruto Hashimoto, Ryohei Oka, Tomokatsu Hayakawa, Christoph Brabec","doi":"10.1002/pssr.202470021","DOIUrl":"https://doi.org/10.1002/pssr.202470021","url":null,"abstract":"","PeriodicalId":54619,"journal":{"name":"Physica Status Solidi-Rapid Research Letters","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Herein, the multiferroic perovskite Er0.9La0.1Cr0.8Fe0.2O3 was synthesized using the sol–gel method, and its structure and multiferroic properties were investigated. The magnetic order of Er0.9La0.1Cr0.8Fe0.2O3 was analyzed through magnetic entropy change curves. Furthermore, a four‐sublattice molecular field model was constructed to study the spin reorientation phenomena and explain the differences between various spin redirections through magnetic order correction. This work will provide a new perspective for studying the properties of type II multiferroic materials.
{"title":"Study of the Structure, Multiferroic, and Magnetic Order of Er0.9La0.1Cr0.8Fe0.2O3","authors":"Kaiyang Gao, Hengjian Hou, Jiyu Shen, Zeyi Lu, Jiajun Mo, Guoqing Liu, Zhongjin Wu, Chenying Gong, Dong Xie, Yanfang Xia, Min Liu","doi":"10.1002/pssr.202300144","DOIUrl":"https://doi.org/10.1002/pssr.202300144","url":null,"abstract":"Herein, the multiferroic perovskite Er<jats:sub>0.9</jats:sub>La<jats:sub>0.1</jats:sub>Cr<jats:sub>0.8</jats:sub>Fe<jats:sub>0.2</jats:sub>O<jats:sub>3</jats:sub> was synthesized using the sol–gel method, and its structure and multiferroic properties were investigated. The magnetic order of Er<jats:sub>0.9</jats:sub>La<jats:sub>0.1</jats:sub>Cr<jats:sub>0.8</jats:sub>Fe<jats:sub>0.2</jats:sub>O<jats:sub>3</jats:sub> was analyzed through magnetic entropy change curves. Furthermore, a four‐sublattice molecular field model was constructed to study the spin reorientation phenomena and explain the differences between various spin redirections through magnetic order correction. This work will provide a new perspective for studying the properties of type II multiferroic materials.","PeriodicalId":54619,"journal":{"name":"Physica Status Solidi-Rapid Research Letters","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142210993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Muhammad Qasim, Asad Muhammad Iqbal, Muhammad Tahir Khan, Mohamed A. Ghanem
In this study, the enhancement of magnetic properties in Fe2O3 nanoparticles through nanostructural modification via carbon coating is investigated. Fe2O3 and carbon‐coated Fe2O3 nanoparticles are synthesized using the solvothermal method. Structural, morphological, optical, and magnetic properties are comprehensively analyzed. The results demonstrate a significant reduction in particle size upon carbon coating, effectively mitigating agglomeration. Furthermore, carbon‐coated nanoparticles exhibit substantial enhancement in coercivity, remanence, and saturation magnetization suggesting improved magnetic behavior in comparison to their uncoated counterparts. This enhancement is attributed to the prevention of spin misalignment at the nanoparticle surface by the carbon coating, as well as the formation of distinct magnetic domains due to the reduced particle size. The observed improvements underscore the effectiveness of carbon coating in tailoring the magnetic properties of Fe2O3 nanoparticles for applications in magnetic devices and biomedical systems, such as magnetic hyperthermia and drug delivery systems, where precise control over magnetic behavior is crucial.
{"title":"Nanostructural Modification of Fe2O3 Nanoparticles: Carbon Coating for Enhanced Magnetic Behavior","authors":"Muhammad Qasim, Asad Muhammad Iqbal, Muhammad Tahir Khan, Mohamed A. Ghanem","doi":"10.1002/pssr.202400230","DOIUrl":"https://doi.org/10.1002/pssr.202400230","url":null,"abstract":"In this study, the enhancement of magnetic properties in Fe<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> nanoparticles through nanostructural modification via carbon coating is investigated. Fe<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> and carbon‐coated Fe<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> nanoparticles are synthesized using the solvothermal method. Structural, morphological, optical, and magnetic properties are comprehensively analyzed. The results demonstrate a significant reduction in particle size upon carbon coating, effectively mitigating agglomeration. Furthermore, carbon‐coated nanoparticles exhibit substantial enhancement in coercivity, remanence, and saturation magnetization suggesting improved magnetic behavior in comparison to their uncoated counterparts. This enhancement is attributed to the prevention of spin misalignment at the nanoparticle surface by the carbon coating, as well as the formation of distinct magnetic domains due to the reduced particle size. The observed improvements underscore the effectiveness of carbon coating in tailoring the magnetic properties of Fe<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> nanoparticles for applications in magnetic devices and biomedical systems, such as magnetic hyperthermia and drug delivery systems, where precise control over magnetic behavior is crucial.","PeriodicalId":54619,"journal":{"name":"Physica Status Solidi-Rapid Research Letters","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142210992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Lichao Wang, Yang Li, Xindi Li, Yiwei Zhu, Jian Kang, Le Zhang, Cen Shao, Jun Zou
A high‐power white laser source is prepared by using a 455 nm blue laser to excite YAG:Ce ceramics. To achieve high‐power output, a water‐cooling device is used to reduce the operating temperature of ceramics. The luminescence properties of laser‐excited phosphor ceramics are studied under different blue excitation power and different irradiation time. The experimental results show that the luminous flux of phosphor ceramics excited by the blue laser increases linearly with the increase of blue laser power, depending on the heat dissipation of the water‐cooling device. When the blue laser power increases to 73.1 W, the phosphor ceramics do not reach the luminescence saturation state. The luminous flux of phosphor ceramics excited by 73.1 W blue laser is stable within 60 min. The maximum luminous flux is 8094 lm, and the maximum working temperature of the ceramics is 110 °C. The experimental results show that water‐cooling packages are an effective means to realize high‐power white laser sources.
利用 455 nm 的蓝色激光激发 YAG:Ce 陶瓷，制备出高功率白光激光源。为了实现高功率输出，使用了水冷装置来降低陶瓷的工作温度。研究了不同蓝光激发功率和不同照射时间下激光激发荧光粉陶瓷的发光特性。实验结果表明，蓝光激光激发荧光粉陶瓷的光通量随蓝光激光功率的增加而线性增加，这取决于水冷装置的散热情况。当蓝色激光功率增加到 73.1 W 时，荧光粉陶瓷并没有达到发光饱和状态。在 73.1 W 蓝色激光的激励下，荧光粉陶瓷的光通量在 60 分钟内保持稳定。最大光通量为 8094 lm，陶瓷的最高工作温度为 110 °C。实验结果表明，水冷封装是实现高功率白光激光源的有效手段。
{"title":"Study on Thermal and Luminescence Properties of YAG:Ce Ceramics Excited by High‐Power Fiber Laser with the Condition of a Water‐Cooling Package","authors":"Lichao Wang, Yang Li, Xindi Li, Yiwei Zhu, Jian Kang, Le Zhang, Cen Shao, Jun Zou","doi":"10.1002/pssr.202400143","DOIUrl":"https://doi.org/10.1002/pssr.202400143","url":null,"abstract":"A high‐power white laser source is prepared by using a 455 nm blue laser to excite YAG:Ce ceramics. To achieve high‐power output, a water‐cooling device is used to reduce the operating temperature of ceramics. The luminescence properties of laser‐excited phosphor ceramics are studied under different blue excitation power and different irradiation time. The experimental results show that the luminous flux of phosphor ceramics excited by the blue laser increases linearly with the increase of blue laser power, depending on the heat dissipation of the water‐cooling device. When the blue laser power increases to 73.1 W, the phosphor ceramics do not reach the luminescence saturation state. The luminous flux of phosphor ceramics excited by 73.1 W blue laser is stable within 60 min. The maximum luminous flux is 8094 lm, and the maximum working temperature of the ceramics is 110 °C. The experimental results show that water‐cooling packages are an effective means to realize high‐power white laser sources.","PeriodicalId":54619,"journal":{"name":"Physica Status Solidi-Rapid Research Letters","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142210994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hao Ding, Jingyu Hou, Kun Zhai, Xin Gao, Zhiwei Shen, Junquan Huang, Bingchao Yang, Feng Ke, Congpu Mu, Fusheng Wen, Jianyong Xiang, Bochong Wang, Tianyu Xue, Anmin Nie, Xiaobing Liu, Lin Wang, Xiang‐Feng Zhou, Zhongyuan Liu
Tuning interlayer interactions offer an alternative approach to access novel electronic structure and intriguing physical properties in layered materials. Here, the emergence of a new form of superconductivity in two‐dimensional (2D) binary phosphides by strengthening the interlayer coupling with lattice compression is reported. Electrical transport measurements show strong evidence of superconductivity in InP3 with the highest critical temperature (Tc) of 9.5 K at 45.1 GPa. Raman and X‐ray diffraction (XRD) measurements indicate that the interlayer interactions are dramatically modulated under compression, along with the deformation of local In–P bipyramid structure and reduction of the interlayer distances, which eventually results in the formation of In–P bonds between neighboring In–P bipyramids and a Rm to Cmcm structural transition. First‐principles density functional theory (DFT) calculations reveal that pressure enhances the interlayer interactions, which increases the density of states (DOS) near the Fermi surface (N(EF)) and strengthens the electron–phonon coupling. Consequently, this favors the occurrence of superconductivity in compressed InP3. This study not only introduces a new superconductivity phase with enhanced electron–phonon coupling in binary phosphides, but also provides a platform for exploring the pressure effect on interlayer interactions in material systems with corrugated layered structure.
{"title":"Emergence of Superconductivity in Indium Triphosphate via Pressure‐Tuned Interlayer Bond Formation","authors":"Hao Ding, Jingyu Hou, Kun Zhai, Xin Gao, Zhiwei Shen, Junquan Huang, Bingchao Yang, Feng Ke, Congpu Mu, Fusheng Wen, Jianyong Xiang, Bochong Wang, Tianyu Xue, Anmin Nie, Xiaobing Liu, Lin Wang, Xiang‐Feng Zhou, Zhongyuan Liu","doi":"10.1002/pssr.202400206","DOIUrl":"https://doi.org/10.1002/pssr.202400206","url":null,"abstract":"Tuning interlayer interactions offer an alternative approach to access novel electronic structure and intriguing physical properties in layered materials. Here, the emergence of a new form of superconductivity in two‐dimensional (2D) binary phosphides by strengthening the interlayer coupling with lattice compression is reported. Electrical transport measurements show strong evidence of superconductivity in InP<jats:sub>3</jats:sub> with the highest critical temperature (<jats:italic>T</jats:italic><jats:sub>c</jats:sub>) of 9.5 K at 45.1 GPa. Raman and X‐ray diffraction (XRD) measurements indicate that the interlayer interactions are dramatically modulated under compression, along with the deformation of local In–P bipyramid structure and reduction of the interlayer distances, which eventually results in the formation of In–P bonds between neighboring In–P bipyramids and a <jats:italic>R</jats:italic><jats:italic>m</jats:italic> to <jats:italic>Cmcm</jats:italic> structural transition. First‐principles density functional theory (DFT) calculations reveal that pressure enhances the interlayer interactions, which increases the density of states (DOS) near the Fermi surface (<jats:italic>N</jats:italic>(<jats:italic>E</jats:italic><jats:sub>F</jats:sub>)) and strengthens the electron–phonon coupling. Consequently, this favors the occurrence of superconductivity in compressed InP<jats:sub>3</jats:sub>. This study not only introduces a new superconductivity phase with enhanced electron–phonon coupling in binary phosphides, but also provides a platform for exploring the pressure effect on interlayer interactions in material systems with corrugated layered structure.","PeriodicalId":54619,"journal":{"name":"Physica Status Solidi-Rapid Research Letters","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Understanding the interaction of various environmental oxidizing agents is important in determining the physical and chemical properties of 2D materials. Its impact holds great significance for the practical application of these materials in nanoscale devices functioning under ambient conditions. This study delves into the influence of O2 and O3 exposure on the structural and electronic characteristics of the C2N monolayer, focusing on the kinetics of adsorption and dissociation reactions. Employing first‐principles density‐functional theory calculations alongside climbing image nudged elastic band calculations, it is observed that the monolayer exhibits resistance to ozonation, evidenced by energy barriers of 0.56 eV. These processes are accompanied by the formation of COC groups. Furthermore, the dissociation mechanism involves charge transfers from the monolayer to the molecules. Notably, the dissociated configurations demonstrate higher bandgaps compared to the pristine monolayer, attributed to robust CO hybridization. These findings suggest the robustness of C2N monolayers against oxygen/ozone exposures, ensuring stability for devices incorporating these materials.
{"title":"Unveiling the Reactivity of Oxygen and Ozone on C2N Monolayer","authors":"Soumendra Kumar Das, Lokanath Patra, Prasanjit Samal, Pratap Kumar Sahoo","doi":"10.1002/pssr.202400148","DOIUrl":"https://doi.org/10.1002/pssr.202400148","url":null,"abstract":"Understanding the interaction of various environmental oxidizing agents is important in determining the physical and chemical properties of 2D materials. Its impact holds great significance for the practical application of these materials in nanoscale devices functioning under ambient conditions. This study delves into the influence of O<jats:sub>2</jats:sub> and O<jats:sub>3</jats:sub> exposure on the structural and electronic characteristics of the C<jats:sub>2</jats:sub>N monolayer, focusing on the kinetics of adsorption and dissociation reactions. Employing first‐principles density‐functional theory calculations alongside climbing image nudged elastic band calculations, it is observed that the monolayer exhibits resistance to ozonation, evidenced by energy barriers of 0.56 eV. These processes are accompanied by the formation of COC groups. Furthermore, the dissociation mechanism involves charge transfers from the monolayer to the molecules. Notably, the dissociated configurations demonstrate higher bandgaps compared to the pristine monolayer, attributed to robust CO hybridization. These findings suggest the robustness of C<jats:sub>2</jats:sub>N monolayers against oxygen/ozone exposures, ensuring stability for devices incorporating these materials.","PeriodicalId":54619,"journal":{"name":"Physica Status Solidi-Rapid Research Letters","volume":null,"pages":null},"PeriodicalIF":2.8,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142210995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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