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浏览/检索结果: 共31条，第1-10条 帮助 限定条件 发表日期：2019     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Effects of vacancy on the electronic and optical properties of beta-Si3N4 by first-principles 期刊论文 MODERN PHYSICS LETTERS B, 2019, 卷号: 33, 期号: 36 作者:  Lu, Xuefeng;  Luo, Jianhua;  Yang, Panfeng;  Ren, Junqiang;  Guo, Xin 收藏  |  浏览/下载：9/0  |  提交时间：2020/06/02 beta-Si3N4  first principles  vacancy  electronic structure  optical properties   First-principles investigation of the effects of Re (La, Ce, Pr and Nd) doping on the diopside phase of glass-ceramics 期刊论文 JOURNAL OF NON-CRYSTALLINE SOLIDS, 2019, 卷号: 526, 页码: 7 作者:  Gao, Xueyun;  Wang, Haiyan;  Wang, Chengmeng;  Chen, Shuming;  Zhao, Ming 收藏  |  浏览/下载：38/0  |  提交时间：2021/02/02 Diopside  Rare earth  Doping  First-principles  Anisotropy   Effects of co-doping on electronic structure and optical properties of 3C-SiC from first-principles method 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170 作者:  Lu, Xuefeng;  Zhao, Tingting;  Lei, Qingfeng;  Yan, Xiaobin;  Ren, Junqiang 收藏  |  浏览/下载：11/0  |  提交时间：2020/06/02 3C-SiC  First principles  Co-doping  Electronic structure  Optical properties   Tailoring nitrogen content in doped carbon by a facile synthesis with ionic liquid precursors for lithium ion batteries 期刊论文 APPLIED SURFACE SCIENCE, 2019, 卷号: 494, 页码: 532-539 作者:  Xiao, Mingjun;  Meng, Yanshuang;  Li, Yuzhu;  Liu, Xinglian;  Ke, Xinyou 收藏  |  浏览/下载：11/0  |  提交时间：2019/11/15 Nitrogen-doped carbon  Ionic liquids  Anode materials  Lithium ion batteries   Density functional theory capture of electronic structures and optical properties of vacancy doped 3C-SiC systems 期刊论文 MATERIALS RESEARCH EXPRESS, 2019, 卷号: 6, 期号: 11 作者:  Lu, Xuefeng;  Yang, Panfeng;  Luo, Jianhua;  Guo, Xin;  Ren, Junqiang 收藏  |  浏览/下载：9/0  |  提交时间：2020/06/02 3C-SiC  electronic structures  optical properties  vacancy doping  first-principles simulations   Investigation on the excited state intramolecular proton transfer process for the novel 2-(3,5-dichloro-2-hydroxy-phenyl)-benzooxazole-5-carboxylicacid system 期刊论文 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 10, 页码: 9 作者:  Gao, Haiyan;  Yang, Xiaohui;  Zhang, Tianjie;  Yang, Dapeng 收藏  |  浏览/下载：79/0  |  提交时间：2019/12/02 charge density differences  charge redistribution  ESIPT  frontier molecular orbital  intramolecular hydrogen bond   Theoretical insights into elaborating and regulating excited state dynamics for the novel 6-cyano-2-(2 '-hydroxyphenyl)imidazo[1,2a]pyridine system in polar and nonpolar solvents 期刊论文 MOLECULAR PHYSICS, 2019, 页码: 9 作者:  Xu, Lei;  Zhang, Qiaoli;  Zhang, Tianjie;  Yang, Dapeng 收藏  |  浏览/下载：81/0  |  提交时间：2019/12/02 Intramolecular hydrogen bond  ESIPT  charge density difference  charge redistribution  solvent polarity   A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties 期刊论文 ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143 作者:  Qi, Yutai;  Lu, Meiheng;  Wang, Yi;  Tang, Zhe;  Gao, Ziqing 收藏  |  浏览/下载：103/0  |  提交时间：2019/12/02 Electronic structures and optical properties of Ni-doped 4H-SiC: dispersion-corrected density functional theory investigations 期刊论文 MATERIALS RESEARCH EXPRESS, 2019, 卷号: 6, 期号: 9 作者:  Lu, Xuefeng;  Zhao, Tingting;  Guo, Xin;  Chen, Meng;  Ren, Junqiang 收藏  |  浏览/下载：14/0  |  提交时间：2019/11/15 first principles simulations  4H-SiC  electronic structure  optical properties   A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system 期刊论文 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8 作者:  Wang, Yusheng;  Zhang, Qiaoli;  Xu, Kai;  Jiang, Weifen;  Yang, Dapeng 收藏  |  浏览/下载：211/0  |  提交时间：2019/12/02 charge transfer  ESIPT  intramolecular hydrogen bond  solvent polarity