新型二维石墨炔族材料的构造规律和电子特性调控

11304096
2013
A2004.凝聚态物质电子结构
张红雨
青年科学基金项目
讲师
华东理工大学
25万元
石墨炔;分子动力学模拟;电子性质;二维碳材料;第一性原理计算
2014-01-01到2016-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 First-principles prediction of a new planar hydrocarbon material: half-hydrogenated 14,14,14-graphyne 期刊论文 Zhang, Hongyu|Pan, Hongzhe|Zhang, Meng|Luo, Youhua|
2 First-Principles Investigations of Chirality in Trimetallic Alloy Clusters: AlMnAun (n = 1？7) 期刊论文 Teng Gu|Hongyu Zhang|Youhua Luo|Wei Cao|
3 Magnetic MoS2 pizzas and sandwiches with Mn-n (n=1-4) cluster toppings and fillings: A first-principles investigation 期刊论文 Li, Taohai|Wu, Zhaolong|Luo, Youhua|Cao, Wei|
4 Magnetic superatoms in VLi(n) (n = 1-13) clusters: a first-principles prediction. 期刊论文 Zhang, Hongyu|Zhao, Lixia|Luo, Youhua|Cao, Wei|
5 Three-dimensional diffusion of molecular hydrogen in graphdiyne: a first-principles study 期刊论文 Zhang, Meng|Luo, Youhua|Li, Guihua|Zhao, Mingwen|
6 Structural, electronic, and magnetic properties in FeAlAu ( = 1–6) clusters: A first-principles study 期刊论文 Yanwei Zhao|Hongyu Zhang|Lina Zhao|Youhua Luo|
7 A theoretical study of structures and chemical bonding of mixed clusters X3Y3H6 (X？=？B, Al, Ga, In Y？=？N, P, As, Sb) 期刊论文 Meng Zhang|Li-Xia Zhao|Hong-Yu Zhang|You-Hua Luo|
8 Unraveling Special Structures and Properties of Gold-Covered Gold-Core Cage on Au33-42 Nanoparticles 期刊论文 Zhang, Meng|Zhang, Hong-Yu|Feng, Xiao-Juan|Luo, You-Hua|
9 Interstitial boron doping effects on the electronic and magnetic properties of graphitic？carbon nitride materials 期刊论文 Hongzhe Pan|Hongyu Zhang|Hongmei Liu|Li Chen|
10 Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bonds 期刊论文 Youhua Luo|Xiaojuan Feng|Lixia Zhao|Meng Zhang|
11 B4CN3 and B3CN4 monolayers as the promising candidates for metal-free spintronic materials 期刊论文 Sun, Yuanyuan|Zheng, Yongping|Tang, Nujiang|Du, Youwei|
12 Magnetic superatoms in VLi(n) (n = 1-13) clusters: a first-principles prediction. 期刊论文 Zhang, Hongyu|Zhao, Lixia|Luo, Youhua|Cao, Wei|
13 Interstitial boron doping effects on the electronic and magnetic properties of graphitic？carbon nitride materials 期刊论文 Hongzhe Pan|Hongyu Zhang|Hongmei Liu|Li Chen|
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