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浏览/检索结果: 共6条，第1-6条 帮助 限定条件 学科主题：Chemistry    发表日期：2016     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Understanding the interactions between lithium polysulfides and N-doped graphene using density functional theory calculations 期刊论文 NANO ENERGY, 2016, 卷号: 25, 页码: 203-210 Yin, Li-Chang; Liang, Ji; Zhou, Guang-Min; Li, Feng; Saito, Riichiro; Cheng, Hui-Ming 收藏  |  浏览/下载：39/0  |  提交时间：2016/08/22 Lithium-sulfur battery  Shuttling effect  Density functional theory calculation  Nitrogen-doping  Graphene   Charge transfer of edge states in zigzag silicene nanoribbons with Stone-Wales defects from first-principles 期刊论文 APPLIED SURFACE SCIENCE, 2016, 卷号: 383, 页码: 310-316 作者:  Xie, T;  Wang, R;  Wang, SF;  Wu, XZ 收藏  |  浏览/下载：15/0  |  提交时间：2019/04/08 Zigzag silicene nanoribbons  TOTAL-ENERGY CALCULATIONS  Stone-Wales defects  AUGMENTED-WAVE METHOD  Electronic properties  ELECTRON-GAS  First-principles  BASIS-SET  SI   Local charge states in hexagonal boron nitride with Stone-Wales defects 期刊论文 NANOSCALE, 2016, 卷号: 8, 期号: 15, 页码: 8210-8219 作者:  Wang, R;  Yang, JL;  Wu, XZ;  Wang, SF 收藏  |  浏览/下载：51/0  |  提交时间：2019/04/08 BRILLOUIN-ZONE INTEGRATIONS  TOTAL-ENERGY CALCULATIONS  AUGMENTED-WAVE METHOD  MAGNETIC-PROPERTIES  ELECTRON-GAS  BASIS-SET  NANORIBBONS  GRAPHENE  NANOTUBES  CARBON   Local charge states in hexagonal boron nitride with Stone-Wales defects 期刊论文 NANOSCALE, 2016, 卷号: 8, 期号: 15, 页码: 8210-8219 作者:  Wang, R;  Yang, JL;  Wu, XZ;  Wang, SF;  Wang, R (reprint author), Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China. 收藏  |  浏览/下载：16/0  |  提交时间：2017/10/13 Charge transfer of edge states in zigzag silicene nanoribbons with Stone-Wales defects from first-principles 期刊论文 APPLIED SURFACE SCIENCE, 2016, 卷号: 383, 页码: 310-316 作者:  Xie, T;  Wang, R;  Wang, SF;  Wu, XZ;  Wu, XZ (reprint author), Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China. 收藏  |  浏览/下载：15/0  |  提交时间：2017/10/13 Zigzag Silicene Nanoribbons  Stone-wales Defects  Electronic Properties  First-principles   Metallic coordination selectivity effect in the trinuclear M-3(RCOO)(6) secondary building units of three layer metal-carboxylate frameworks 期刊论文 RSC ADVANCES, 2016, 卷号: 6, 期号: 18, 页码: 14522-14530 作者:  Wang, Xiao-Feng;  Wang, Hongqing;  Wang, Shuhong;  Li, Jun;  Li, Shenbiao 收藏  |  浏览/下载：29/0  |  提交时间：2016/12/27