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Effect of warpage on the electronic structure and optical properties of bilayer germanene: 《Journal of Semiconductors》2022年第12期39-45,共7页Qihang Xiong Weifu Cen Xingtong Wu Cong Chen; supported by the Science and Technology Foundation of Guizhou Province,China(Nos.1Y[2020]200,1Y[2020]205);the Youth Science and Technology Talents Growth Fund Program of the Ministry of Education Province,China(Nos.KY[2021]105,KY[2021]103).; The electronic structure and optical properties of bilayer germanene under different warpages are studied by the first-principles method of density functional theory.The effects of warpages on the electronic structure...; 关键词：bilayer germanene warpages electronic structure optical properties FIRST-PRINCIPLES

Recent development in electronic structure tuning of graphitic carbon nitride for highly efficient photocatalysis被引量：6: 《Journal of Semiconductors》2022年第2期24-34,共11页Chao Li Jie Li Yanbin Huang Jun Liu Mengmeng Ma Kong Liu Chao Zhao Zhijie Wang Shengchun Qu Lei Zhang Haiyan Han Wenshuang Deng Zhanguo Wang; mostly supported by the National Natural Science Foundation of China(Nos.21975245,51972300,61674141,12004094,and 21976049);the Key Research Program of Frontier Science,CAS(QYZDB-SSW-SLH006);the National Key Research and Development Program of China(Nos.2017YFA0206600 and 2018YFE0204000);the Strategic Priority Research Program of Chinese Academy of Sciences(XDB43000000);the Natural Science Foundation of Hebei Province(F2019402063);the Youth Foundation of Hebei Province Department of Education(QN2019326);the Science and Technology Research and Development Program of Handan city(21422111246);the Key Project of Handan University(2018101);the support from the Youth Innovation Promotion Association,Chinese Academy of Sciences(2020114);the support from the Doctoral Special Fund Project of Hebei University of Engineering。; The utilization of solar energy to drive energy conversion and simultaneously realize pollutant degradation via pho-tocatalysis is one of most promising strategies to resolve the global energy and environment issues.D...; 关键词：g-C_(3)N_(4) PHOTOCATALYST electronic structure

First principles study of the electronic structure and photovoltaic properties ofβ-CuGaO2 with MBJ+U approach: 《Journal of Semiconductors》2020年第10期21-24,共4页Guoping Luo Yingmei Bian Ruifeng Wu Guoxia Lai Xiangfu Xu Weiwei Zhang Xingyuan Chen; supported by the NSFC(Grant No.11547201);Natural Science Foundation of Guangdong Province,China(Grant No.2017A030307008);Natural Science Basic Research Program of Shaanxi(Program No.2019JQ-380);Natural Science Foundation of Guangdong Petrochemical University of Technology,China(Grant No.2017rc20)。; Based on the density functional theory,the energy band and electronic structure ofβ-CuGaO2 are calculated by the modified Becke-Johnson plus an on-site Coulomb U(MBJ+U)approach in this paper.The calculated results sh...; 关键词：first principles β-CuGaO2 electronic structure photovoltaic properties

Comparative research on the influence of varied Al component on the active layer of AlGaN photocathode: 《Journal of Semiconductors》2017年第6期38-43,共6页Minyou He Liang Chen Lingai Su Lin Yin Yunsheng Qian; supported by the National Natural Science Foundation of China(Nos.61308089,6144005);the Public Technology Applied Research Project of Zhejiang Province(No.2013C31068); To theoretically research the influence of a varied Al component on the active layer of AlGaN photocathodes,the first principle based on density functional theory is used to calculate the formation energy and band str...; 关键词：FIRST-PRINCIPLES electronic structure absorption coefficient spectral response quantum efficiency fitting parameter

Influence of Al2O3 barrier on the interfacial electronic structure of Au/Ti/n-GaAs structures: 《Journal of Semiconductors》2017年第5期49-58,共10页Abdulkerim Karabulut Hasan Efeoglu Abdulmecit Turut; The Au/Ti/n-GaAs structures with and without Al2O3 interfacial layer have been fabricated.The Al2O3interfacial layer has been formed on the GaAs substrate by atomic layer deposition.The effects of the interfacial laye...; 关键词：metal-insulating layer-semiconductor contacts atomic layer deposition Schottky diodes barrier inhomogeneity

Electronic structures and optical properties of Nb-doped SrTiO_3 from first principles: 《Journal of Semiconductors》2016年第7期12-16,共5页焦淑娟闫金良孙桂鹏赵银女; Project supported by the National Natural Science Foundation of China(No.10974077);the Innovation Project of Shandong Graduate Education,China(No.SDYY13093); The n-type Nb-doped SrTiO3 with different doping concentrations were studied by first principles cal- culations. The effects of Nb concentration on the formation enthalpy, electronic structure and optical property wer...; 关键词：semiconductor doping electric property optical property electronic structure

Influence of tension-twisting deformations and defects on optical and electrical properties of B,N doped carbon nanotube superlattices被引量：1: 《Journal of Semiconductors》2016年第6期33-38,共6页刘贵立姜艳宋媛媛周爽王天爽; supported by the National Natural Science Foundation of China(No.51371049);the Natural Science Foundation of Liaoning Province(No.20102173); As the era of nanoelectronics is dawning,CNT（carbon nanotube）,a one-dimensional nano material with outstanding properties and performances,has aroused wide attention.In order to study its optical and electrical prop...; 关键词：B and N doped carbon nanotubes defects tension-twisting deformation electronic structure optical properties

Electronic structure and optical properties of F-doped β-Ga_2O_3 from first principles calculations被引量：2: 《Journal of Semiconductors》2016年第4期17-23,共7页闫金良曲崇; Project supported by the Innovation Project of Shandong Graduate Education,China(No.SDYY13093);the National Natural Science Foundation of China(No.10974077); The effects of F-doping concentration on geometric structure, electronic structure and optical property of β-GaOwere investigated. All F-doped β-GaOwith different concentrations are easy to be formed under Ga-rich c...; 关键词：semiconductor electronic structure optical property F-doped β-Ga_2O_3

Effect of relaxation on the energetics and electronic structure of clean Ag3PO4(111) surface被引量：2: 《Journal of Semiconductors》2016年第3期26-31,共6页马新国严杰刘娜祝林王贝黄楚云吕辉; Project supported by the National Natural Science Foundation of China(Nos.51472081,51102150,61106046);the Development Funds of Hubei Collaborative Innovation Center(Nos.HBSKFMS2014003,HBSKFMS2014011);the Foundation for High-Level Talents(No.GCRC13014); The effect of relaxation on the energetics and electronic structure of clean Ag3PO4（111） surface has been studied, carried out using first-principles density functional theory（DFT） incorporating the GGACU formalis...; 关键词：silver orthophosphate atomic relaxation electronic structure DFT

Electronic structure and optical property of p-type Zn-doped SnO_2 with Sn vacancy被引量：2: 《Journal of Semiconductors》2016年第2期39-44,共6页孙桂鹏闫金良牛培江孟德兰; supported by the National Natural Science Foundation of China(No.10974077);the Innovation Project of Shandong Graduate Education,China(No.SDYY13093); The electronic structures and optical properties of intrinsic SnO2, Zn-doped SnO2, SnO2 with Sn va- cancy （Vsn） and Zn-doped SnO2 with Sn vacancy are explored by using first-principles calculations. Zn-doped SnO2 is...; 关键词：Sn02 crystal zinc doping tin vacancy electronic structure optical property

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