Neural network-based study of structural, chemical and electronic properties of doped MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document}

Neupane Mahesh R.; Cruz Jenille; Weil James D.Groves Michael N.

首页> 外文期刊>Journal of Materials Research >Neural network-based study of structural, chemical and electronic properties of doped MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document}

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Neural network-based study of structural, chemical and electronic properties of doped MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document}

机译：Neural network-based study of structural, chemical and electronic properties of doped MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document}

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Abstract Molybdenum trioxide (MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document}) is a commonly implemented acceptor layer for the surface-doped diamond devices. This work proposes an approach to engineer the intrinsic electrochemical properties of the MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document} surface through a substitutional doping technique to enhance the surface conductivity of the interfacing diamond surface. A neural network (NN) technique was used to identify the stable location of the dopants within the surface. The acidic properties of these doped surfaces were analyzed by evaluating the surface adsorption potential energy (APE). An analysis of the electronic properties of the doped MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document} systems reveals that the dopants with the lower electronegativity contributed to the relatively enhanced p-type conductivity. Our atom-projected density of states (pDOS) reveals that the density of oxygen states around the valence band states not only increases the p-type conductivity, but also increases the acidic behavior in the doped MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document} surface. In summary, our study on the doped MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document} surface provides a new design space in the field of acceptor layer technology for the surface-doped diamond devices.Graphical abstract

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来源
《Journal of Materials Research》 |2021年第23期|4703-4711|共9页
作者
Neupane Mahesh R.; Cruz Jenille; Weil James D.Groves Michael N.;
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作者单位

Sensors and Electron Devices Directorate (SEDD);

California State University Fullerton;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
原文格式 PDF
正文语种英语
中图分类工程材料学;
关键词
Diamond; acceptor layer; Transition metal oxide (TMO); MoO3documentclass12pt{minimal} usepackage{amsmath} usepackage{wasysym} usepackage{amsfonts} usepackage{amssymb} usepackage{amsbsy} usepackage{mathrsfs} usepackage{upgreek} setlength{oddsidemargin}{-69pt} begin{document}$$hbox {MoO}_{3}$$end{document}; Acidic properties; p-Type conductivity;

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