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大连化学物理研究所 [5]

兰州理工大学 [3]

力学研究所 [2]

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北京大学 [1]

西安交通大学 [1]

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会议论文 [22]

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	Electrical Properties of MoS2-Au Contact Based on the First Principle Study 会议论文作者: Wu, Gengshu; Lou, Haijun; Lin, Xinnan 收藏 \| 浏览/下载：11/0 \| 提交时间：2019/11/15 Metal/molybdenum disulphide (MoS2) contacts Schottky harrier height (SBH) ab initio
	Catalysts screening, optimization and mechanism studies of dimethylhexane-1,6-dicarbamate synthesis from 1,6-hexanediamine and dimethyl carbonate over Mn(OAc)(2) catalyst 会议论文 Singapore, SINGAPORE, JUL 05-09, 2015 作者: Zhao, Liyan; He, Peng; Wang, Liguo; Ammar, Muhammad; Cao, Yan 收藏 \| 浏览/下载：13/0 \| 提交时间：2019/06/21 Dimethyl Carbonate (Dmc) Zinc Acetate Dimethylhexane-1,6-dicarbamate (Hdc) Polyatomic-molecules Mechanism Diethyl Carbonate Homogeneous Catalyst Transition-states Alkyl Carbamate Methoxycarbonylation 1,6-hexamethylenediamine Dicarbamate Methanol Dioxide
	Elastic constants and homogenized moduli of gypsum structure based on Density Functional Theory 会议论文作者: Fu, Jia; Lin, Weihui 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/11/26 Homogenized moduli DFT calculation Elastic constants Gypsum crystal Nanoscale modeling
	Controlled growth and atomic-scale characterizations of graphene and h-BN heterostructures on single crystal substrates 会议论文 Yanfeng Zhang 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/03 graphene h-BN heterostructures scanning tunneling microscope(STM) density functional theory(DFT) calculations CVD growth graphene h-BN heterostructures scanning tunneling microscope(STM) density functional theory(DFT) calculations CVD growth
	Physical characteristics and optical properties of PbS nanoclusters: DFT simulation and experimental study 会议论文 2015 INTERNATIONAL CONFERENCE ON OPTICAL INSTRUMENTS AND TECHNOLOGY: MICRO/NANO PHOTONICS AND FABRICATION, 2015-01-01 作者: Dong, Yanhua[1]; Wen, Jianxiang[2]; Sun, Xiaolan[3]; Shang, Yana[4]; Wang, Tingyun[5] 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/04/30 PbS nanoclusters density functional theory physical characteristics optical properties red shift
	Computational study on triphenylamine-based dyes containing benzimidazole units for dye-sensitized solar cells 会议论文 2nd International Conference on Materials Science and Engineering, ICMSE 2013, Jiujiang, China, March 8, 2013 - March 10, 2013 作者: Wan, Zhong Quan; Zhou, Lin Lei; Jia, Chun Yang; Yao, Xiao Jun; Shi, Yu 收藏 \| 浏览/下载：4/0 \| 提交时间：2017/01/20 Solar cells Density functional theory Electromagnetic wave absorption Electron energy levels Electronic structure Materials science Photoelectrochemical cells Benzimidazoles Density functional theories (DFT) Dye-sensitized solar cells Time dependent density functional theory Triphenyl amines
	A density functional study of zinc oxide elastic properties under high pressure 会议论文 IUTAM Symposium on Surface Effects in the Mechanics of Nanomaterials and Heterostructures, Beijing, China, AUG 8-12, 2010 作者: Wang BB(王斌斌); Zhao YP(赵亚溥) 收藏 \| 浏览/下载：16/0 \| 提交时间：2014/03/04 ZnO Elastic properties Density functional theory (DFT) Multi-scale simulation
	A density functional study of zinc oxide elastic properties under high pressure 会议论文 Beijing, China, August 8, 2010 - August 12, 2010 作者: Wang BB; Zhao YP(赵亚溥) 收藏 \| 浏览/下载：27/0 \| 提交时间：2018/11/08 Biosensors Blending Chemical vapor deposition Crystal symmetry Crystals Density functional theory Elastic constants Elasticity II VI semiconductors Lattice constants Local density approximation Nanocomposites Nanostructured materials Zinc sulfide Chemical vapor depositions (CVD) Density functional study Elastic properties Environment pressure Generalized gradient approximations Longitudinal direction Multi scale simulation Zinc blend structure
	Optical properties of N and transition metal R (R=V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) codoped anatase TiO2 会议论文作者: Zhang, Renhui; Wang, Qing; Liang, Jun; Li, Qiang; Dai, Jianfeng 收藏 \| 浏览/下载：5/0 \| 提交时间：2020/11/15 Band structure Chemical bonds Chromium compounds Density functional theory Dipole moment Electronic structure Light Manganese compounds Nickel compounds Photocatalytic activity Titanium dioxide Transition metals Zinc compounds Absorption co-efficient Anatase TiO2 Experimental values First principles Ionic bonding Optical response Ultrasoft pseudopotentials Visible light region
	Study of Electronic Structures and Transport Properties on Saturated GaN Nanowires 会议论文 10th China International Nanoscience and Technology Symposium, Hangzhou, PEOPLES R CHINA, 2011-10-26 作者: Li, Enling; Zhu, Pengfei; Zhao, Tao; Ma, Deming; Wang, Xuewen 收藏 \| 浏览/下载：4/0 \| 提交时间：2019/12/20 GaN nanowires density functional theory (DFT) electronic transport

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