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科研机构

山东大学 [3]

西安交通大学 [2]

大连化学物理研究所 [2]

高能物理研究所 [2]

西安理工大学 [2]

兰州理工大学 [1]

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期刊论文 [18]

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2018 [18]

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浏览/检索结果: 共18条，第1-10条

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发表日期：2018

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	Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文 ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711 作者: Cheng, Shi-Bo; Huang, Jin-Dou; Zhao, Jinfeng; Yu, Kun; Huang, Xiaohua 收藏 \| 浏览/下载：37/0 \| 提交时间：2019/06/20 indeno[1,2-b] fluorene-6,12-dione-based molecules intrinsic hole mobility intrinsic electron mobility electronic spectra density functional theory (DFT) structure-function relationship
	Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文 Acta crystallographica section b-structural science crystal engineering and materials, 2018, 卷号: 74, 页码: 705-711 作者: Huang, Jin-Dou; Zhao, Jinfeng; Yu, Kun; Huang, Xiaohua; Cheng, Shi-Bo 收藏 \| 浏览/下载：64/0 \| 提交时间：2019/05/08 Indeno[1,2-b] fluorene-6,12-dione-based molecules Intrinsic hole mobility Intrinsic electron mobility Electronic spectra Density functional theory (dft) Structure-function relationship
	Mechanochemical formation of chlorinated phenoxy radicals and their roles in the remediation of hexachlorobenzene contaminated soil 期刊论文 JOURNAL OF HAZARDOUS MATERIALS, 2018, 卷号: 352, 页码: 172-181 作者: Deng, Shanshan; Feng, Nannan; Kang, Shaoguo; Zhu, Jianxin; Yu, Bo 收藏 \| 浏览/下载：26/0 \| 提交时间：2019/06/19 Mechanochemical Degradation (MCD) Density functional theory (DFT) Free-radical reaction Transition states Dechlorination Pathway
	Defective N/S-Codoped 3D Cheese-Like Porous Carbon Nanomaterial toward Efficient Oxygen Reduction and Zn–Air Batteries 期刊论文 Small, 2018, 卷号: 14, 期号: 21 作者: Zhu, Jiawei; Li, Wenqiang; Li, Shuaihu; Zhang, Jian; Zhou, Huang 收藏 \| 浏览/下载：20/0 \| 提交时间：2020/11/14 Ammonia Carbon Catalyst activity Defects Density functional theory Electrolytic reduction Energy conversion Nanostructured materials Oxygen Porous materials Charge density distributions DFT calculation Electrochemical measurements Energy conversion and storages Functional properties Oxygen reduction reaction Porous architectures Porous carbons
	Effect of electron-withdrawing terminal group on BDT-based donor materials for organic solar cells: a theoretical investigation 期刊论文 THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 5, 页码: 1-11 作者: Fu, Lu-Lu; Geng, Hua; Wang, Guo; Duan, Yu-Ai; Geng, Yun 收藏 \| 浏览/下载：26/0 \| 提交时间：2019/04/09 Small Molecular Organic Solar Cells Density Functional Theory (Dft) Electron-withdrawing Terminal Group Modulation Benzo[1 2:4 5-b ']-dithiophene
	Highly delocalized endohedral metal in gd@c-2v(9)-c-82 metallofullerenes co-crystallized with alpha-s-8 期刊论文 Nano research, 2018, 卷号: 11, 期号: 4, 页码: 2277-2284 作者: Li, Cheng; Gao, Xuejiao J.; Yao, Huanli; Huang, Huan; Cui, Rongli 收藏 \| 浏览/下载：135/0 \| 提交时间：2019/04/23 Metallofullerenes Sulfur Structure elucidation Delocalization Density functional theory (dft) calculations
	Metal-organic framework-derived porous shuttle-like vanadium oxides for sodium-ion battery application 期刊论文 Nano Research, 2018, 卷号: 11, 期号: 1, 页码: 449-463 作者: Cai, Yangsheng; Fang, Guozhao; Zhou, Jiang*; Liu, Sainan; Luo, Zhigao 收藏 \| 浏览/下载：4/0 \| 提交时间：2019/12/03 vanadium oxides metal-organic frameworks porous structure density functional theory (DFT) calculation sodium-ion batteries
	Design of bimetallic Rh-M catalysts for N2O decomposition: From DFT calculation to experimental study 期刊论文 MOLECULAR CATALYSIS, 2018, 卷号: 446, 页码: 1-9 作者: Chen, Hao; Lu, Qinghua; Yi, Chunhai; Yang, Bolun; Qi, Suitao 收藏 \| 浏览/下载：11/0 \| 提交时间：2019/11/26 Catalytic activity Directly catalytic decomposition N2O Density functional theory (DFT)
	Pt-modified TaC as an efficient electrocatalyst for ethanol oxidation in acid and alkaline electrolytes 期刊论文 APPLIED CATALYSIS B-ENVIRONMENTAL, 2018, 卷号: 234, 页码: 329-336 作者: Jiang, Zhao; Zhang, Qian; Liang, Zhixiu; Chen, Jingguang G. 收藏 \| 浏览/下载：8/0 \| 提交时间：2019/11/26 In-situ infrared reflection absorption spectroscopy (IRRAS) Density functional theory (DFT) Ethanol oxidation reaction (EOR) Platinum-modified tantalum carbide (TaC)
	Highly delocalized endohedral metal in Gd@C-2v(9)-C-82 metallofullerenes co-crystallized with alpha-S-8 期刊论文 NANO RESEARCH, 2018, 卷号: 11, 期号: 4, 页码: 2277-2284 作者: Yao HL(要换丽); Li, C; Li C(李成); Sun, BY; Feng, L 收藏 \| 浏览/下载：90/0 \| 提交时间：2019/09/24 metallofullerenes sulfur structure elucidation delocalization density functional theory (DFT) calculations

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