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Rational design of eco-friendly Mn-doped nonstoichiometric CuInSe/ZnSe core/shell quantum dots for boosted photoelectrochemical efficiency

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Nano Research 2022年第8期15卷 7614-7621页

作者： Rui Wang Xin Tong Zhihang Long Ali Imran Channa Hongyang Zhao Xin Li Mengke Cai Yimin You Xuping Sun Zhiming Wang Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 610054China Yangtze Delta Region Institute(Huzhou) University of Electronic Science and Technology of ChinaHuzhou 313001China Institute for Advanced Study Chengdu UniversityChengdu 610106China Department of Materials Science and Engineering Hongik UniversitySeoul 04066Republic of Korea

Colloidal core/shell quantum dots(QDs)with environment-friendly feature and controllable optoelectronic properties are promising building blocks in emerging solar *** this work,we rationally design and tailor the eco-friendly CuInSe(CISe)/ZnSe core/shell QDs by Mn doping and stoichiometric optimization(i.e.,molar ratios of Cu/In).It is demonstrated that Mn doping in In-rich CISe/ZnSe core/shell QDs can effectively engineer the charge kinetics inside the QDs,enabling efficient photogenerated electrons transfer into the shell for retarded charge *** a result,a solar-driven photoelectrochemical(PEC)device fabricated using the optimized Mn-doped In-rich CISe/ZnSe core/shell QDs(Cu/In ratio of 1/2)exhibits improved charge extraction and injection,showing a~3.5-fold higher photocurrent density than that of the pristine CISe/ZnSe core/shell QDs under 1 sun AM 1.5G *** findings indicate that transition metal doping in“green”nonstoichiometric core/shell QDs may offer a new strategy for achieving high-efficiency solar energy conversion applications.

关键词： eco-friendly colloidal quantum dot transition metal doping optoelectronic engineering photoelectrochemical cell

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Enhancing hydrogen evolution reaction performance of transition metal doped two-dimensional electride Ca_(2)N

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Chinese Chemical Letters 2023年第6期34卷 487-491页

作者： Baoyu Liu Ziqiang Chen Rui Xiong Xuhui Yang Yinggan Zhang Teng Xie Cuilian Wen Baisheng Sa Multiscale Computational Materials Facility and Key Laboratory of Eco-materials Advanced TechnologyCollege of Materials Science and EngineeringFuzhou UniversityFuzhou 350100China College of Environmental Science and Engineering Fujian Key Laboratory of Pollution Control&Resource ReuseFujian Normal UniversityFuzhou 350007China College of Materials Fujian Provincial Key Laboratory of Theoretical and Computational ChemistryXiamen UniversityXiamen 361005China

Two-dimensional electride Ca_(2)N has strong electron transfer ability and low work function,which is a potential candidate for hydrogen evolution reaction(HER)*** this work,based on density functional theory calculations,we adopt two strategies to improve the HER catalytic activity of Ca_(2)N monolayer:introducing Ca or N vacancy and doping transition metal atoms(TM,refers to Ti,V,Cr,Mn,Fe,Zr,Nb,Mo,Ru,Hf,Ta and W).Interestingly,the Gibbs free energyΔG_(H*)of Ca_(2)N monolayer after introducing N vacancy is reduced to-0.146 e V,showing good HER catalytic *** is highlighted that,the HER catalytic activity of Ca_(2)N monolayer can be further enhanced with TM doping,the Gibbs free energyΔG_(H*)of single Mo and double Mn doped Ca_(2)N are predicted to be 0.119 and 0.139 e V,*** present results will provide good theoretical guidance for the HER catalysis applications of two-dimensional electride Ca_(2)N monolayer.

关键词： Two-dimensional electride Ca_(2)N Density functional theory calculations Hydrogen evolution reaction transition metal doping

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氧化铟表面构建Mo单原子活性位点用于光催化合成氨基酸

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Science China Materials 2022年第5期65卷 1285-1293页

作者：郑芒李琪刘明洋刘佳男赵陈肖旭东王洪丽周靖张莉平蒋保江 School of Chemistry and Materials Science Heilongjiang UniversityHarbin 150080China College of Material Science and Chemical Engineering Harbin Engineering UniversityHarbin 150001China Dalian Institute of Chemical Physics Chinese Academy of SciencesDalian 116023China Department of Mechanical and Energy Engineering Southern University of Science and TechnologyShenzhen 518055China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China

In_(2)O_(3)作为一种n型半导体,被认为是合成氨基酸最有前途的光催化剂之一,然而In_(2)O_(3)自身在光生电荷动力学方面存在不足.我们通过一步溶剂热和煅烧法合成了具有多孔棒状结构的Mo原子掺杂In_(2)O_(3)(Mo-In_(2)O_(3)).在可见光照... 详细信息

In_(2)O_(3)作为一种n型半导体,被认为是合成氨基酸最有前途的光催化剂之一,然而In_(2)O_(3)自身在光生电荷动力学方面存在不足.我们通过一步溶剂热和煅烧法合成了具有多孔棒状结构的Mo原子掺杂In_(2)O_(3)(Mo-In_(2)O_(3)).在可见光照射下,将Mo-In_(2)O_(3)用于乳酸转化为丙氨酸的反应,实现了81%的转化率和91%的选择性.光谱技术和密度泛函理论计算表明, Mo原子引入了略低于In_(2)O_(3)导带的缺陷能级,改善了光生电子-空穴对的分离效率.此外, In_(2)O_(3)表面上的Mo原子形成新的吸附和反应活性中心,可显著提高催化反应速率.本工作为开发过渡金属单原子修饰的半导体光催化剂应用于氨基酸生产提供了理论基础.

关键词： photocatalysis In_(2)O_(3) transition metal doping charge transfer organic synthesis

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