基于富勒烯的新型纳米材料储氢性能研究

11104062
2011
A2104.团簇物理
唐春梅
青年科学基金项目
教授
河海大学
28万元
富勒烯;第一性原理;储氢材料
2012-01-01到2014-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
查看更多信息请先登录或注册
查看更多信息请先登录或注册
查看更多信息请先登录或注册
重置
序号 标题 类型 作者
1 Density functional study on the electronic properties, polarizabilities, NICS values, and absorption spectra of fluorinated fullerene derivative C60F17CF3 期刊论文 Chunmei Tang|Weihua Zhu|Hua Zou|Aimei Zhang|Jiangfeng Gong|Chengjun Tao|
2 Density functional calculations on 13-atom Pd12M (M = Sc Ni) bimetallic clusters 期刊论文 Tang Chun-Mei|Chen Sheng-Wei|Zhu Wei-Hua|Tao Cheng-Jun|Zhang Ai-Mei|Gong Jiang-Feng|Zou Hua|Liu Ming-Yi|Zhu Feng|
3 The density functional studies of the doped gold cages Au<sub>17</sub>M (M&#xa0;=&#xa0;Cu, Ag, Li, Na, K) 期刊论文 Chunmei Tang|Weihua Zhu|Kaixiao Zhang|Xiang He|Feng Zhu|
4 Stabilities, aromaticity, infrared spectra, and optical properties of exohedral fullerene derivatives C76X18(X = H, F, Cl, and Br) 期刊论文 Tang, Chunmei|Chen, Shengwei|Zhu, Weihua|Zhang, Aimei|Zhang, Kaixiao|Liu, Mingyi|
5 不同金属外掺杂富勒烯C_(20)M(M=Li,Ti,Fe)的储氢性能 期刊论文 王成杰|唐春梅|张轶杰|高凤志|
6 Structural, Electronic, Magnetic, and Optical Properties of 3d Transition Metal Endohedral M@Ge12H12(M=Sc-Ni) clusters 期刊论文 Chunmei Tang|Weihua Zhu|Aimei Zhang|Mingyi Liu|Kaixiao Zhang|
7 内掺过渡金属非典型富勒烯M@C_(22)(M=Sc,Ti,V,Cr,Mn,Fe,Co,Ni)几何结构、电子结构、稳定性和磁性的密度泛函研究 期刊论文 唐春梅|郭微|朱卫华|刘明熠|张爱梅|巩江峰|王辉|
8 The high-capacity hydrogen storage abilities of the Ti atoms coated Si@Al<sub>12</sub> clusters 期刊论文 Chunmei Tang|Shengwei Chen|Weihua Zhu|Aimei Zhang|Kaixiao Zhang|Mingyi Liu|
9 Density functional studies of magic clusters Ga<sub>13</sub>M(M&#xa0;=&#xa0;Li, Na, K, and Rb) 期刊论文 Tang, Chunmei|Chen, Shengwei|Zhu, Weihua|Zhang, Aimei|Zhang, Kaixiao|
10 外吸附CO过渡金属团簇Pd5(CO)n(n=1 to 6)的几何结构、电子性质、前线轨道和磁性的密度泛函计算研究 期刊论文 唐春梅|王辉|朱卫华|刘明熠|张爱梅|巩江峰|邹华|郭微|
11 Nonclassical fullerene C22H22 doped with transition metal atoms (Sc-Ni): Density functional calculations 期刊论文 Chunmei Tang|Wei Guo|Weihua Zhu|Kaixiao Zhang|Aimei Zhang|Jiangfeng Gong|Hui Wang|
12 Probing the geometric, optical, and magnetic properties of 3d transition-metal endohedral Ge12M (M = Sc-Ni) clusters 期刊论文 Tang, Chunmei|Liu, Mingyi|Zhu, Weihua|Deng, Kaiming|
13 Density functional calculations on 13-atom Pd12M (M = Sc-Ni) bimetallic cluster 期刊论文 Tang Chun-Mei|Chen Sheng-Wei|Zhu Wei-Hua|Tao Cheng-Jun|Zhang Ai-Mei|Gong Jiang-Feng|Zou Hua|Liu Ming-Yi|Zhu Feng|
14 A Density Functional Study of the Gold Cages MAu16 (M = Si, Ge, and Sn) 期刊论文 Tang Chun-Mei|Zhu Wei-Hua|Zhang Ai-Mei|Zhang Kai-Xiao|Liu Ming-Yi|
15 Doping the transition metal atom Fe, Co, Ni into C<sub>48</sub>B<sub>12</sub> fullerene for enhancing H<sub>2</sub> capture: A theoretical study 期刊论文 Chunmei Tang|Shengwei Chen|Weihua Zhu|Aimei Zhang|Kaixiao Zhang|Hua Zou|
16 Endohedrally doping the gold cage <img alt="image" class="charImg" src="http://ars.els-cdn.com/content/image/1-s2.0-S2210271X13002284-si1.gif"/> with an trivalent atom B, Al, Ga, and In: Density functional studies 期刊论文 Tang, Chunmei|Zhu, Weihua|Zhang, Aimei|Zhang, Kaixiao|Liu, Mingyi|
17 Li修饰的C_6分子对H_2O的吸附研究 期刊论文 张轶杰|唐春梅|高凤志|王成杰|
18 内掺过渡金属非典型富勒烯M@C22(M=Sc-Ni) 几何结构、电子结构、稳定性和磁性的密度泛函研究 期刊论文 Tang Chun-Mei|Guo Wei|Zhu Wei-Hua|Liu Ming-Yi|Zhang Ai-Mei|Gong Jiang-Feng|Wang Hui|
19 stabilities, aromaticity, infrared spectra, and optical properties of exohedral fullerene derivatives C76X18(X=H, F, Cl, and Br) 期刊论文 唐春梅|
查看更多信息请先登录或注册