过渡金属掺杂半导体(硅、锗）团簇的结构和性质研究

21863007
2018
B0302.化学模拟与应用
杨桔材
地区科学基金项目
教授
内蒙古工业大学
34万元
基态结构;过渡金属掺杂半导体团簇;谱学性质;物理化学性质
2019-01-01到2022-12-31
  • 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 Structural growth pattern of neutral and negatively charged yttrium-doped silicon clusters YSin0/- (n=6-20): from linked to encapsulated structures 期刊论文 Liu Yuming;Yang Jucai;Li Suying;Cheng Lin
2 Theoretical Study on Structural Stability, Growth Behavior and Photoelectron Spectroscopy of Copper-Doped Germanium Clusters CuGen 2/0 (n = 4–13) 期刊论文 王新;董彩霞;杨桔材
3 Structural and electronic properties of nanosize semiconductor CeSin0/−(n=4–20) material: A double-hybrid density functional theory investigation 期刊论文 陈雅清;杨桔材;董彩霞
4 Geometric evolution, electronic structure, and vibrational properties of ScGen- (n=6-17) anion clusters: A DFT insight 期刊论文 王海博;杨桔材;林琳
5 Structural and electronic properties of nanosize semiconductor HfSin 0/−/2− (n = 6–16) material: a double-hybrid density functional theory investigation 期刊论文 董彩霞;杨桔材;卢俊
6 Theoretical insights into the geometrical evolution, photoelectron spectra, and vibrational properties of YGen- (n=6-20) aniions: from Y-lined to Y-encapsulated structures 期刊论文 王海博;董彩霞;杨桔材
7 Study on the growth behavior and photoelectron spectroscopy of neodymium doped silicon nanoclusters NdSin0/- (n=8-20) with a double-hybrid density functional theory 期刊论文 董雪艳;杨兆峰;杨桔材
8 Structural and electronic properties of lutetium doped germanium clusters LuGen(+/0/-) (n=6-19): A density functional theory investigation 期刊论文 杨兆峰;曹珍珠;Aziz U Rehman;杨桔材
9 Comparative research of configuration, stability and electronic properties of cationic and neutral [AuGen]λ and [Gen+1]λ (n=1-13, λ=0, +1) nanoalloy clusters 期刊论文 刘斌;王新;杨桔材
10 Structural evolution, photoelectron spectra and vibrational properties of anionic GdGen- (n=5-18) nanoalloy clusters: a DFT insight 期刊论文 杨兆峰;Aziz U. Rehman;曹珍珠;杨桔材
11 Structural Evolution, Electronic Structures, and Vibrational Properties of Anionic LuGen (n=5-17) Clusters: From Lu-Linked to Lu-Encapsulated Configurations 期刊论文 Yang Zhaofeng;Cao Zhenzhu;Rehman Aziz U.;Yang Jucai
12 Structural Stability and Evolution of Terbium-Doped Silicon Clusters and Influence of 4f→5d Electronic Transition Mechanism on Magnetism and Appearance of Photoelectron Spectroscopy for TbSin0/- (n=6-18) Clusters 期刊论文 顾晏松;杨桔材;程琳
13 Europium-linked structures and electronic properties of nanosize semiconductor EuSin 0/− (n = 11-18) clusters 期刊论文 董雪艳;程琳;杨桔材
14 Theoretical Study on the Growth Behavior and Photoelectron Spectroscopy of Lanthanum-Doped Silicon Clusters LaSin0/- (n=6-20) 期刊论文 Chen Yaqing;Liu Yuming;Li Suying;Yang Jucai
15 Structural stability and evolution of scandium-doped silicon clusters: evolution of linked to encapsulated structures and its influence on the prediction of electron affinities for ScSin (n=4-16) clusters 期刊论文 刘宇明;杨桔材;程琳
16 A systematic investigation of structural growth patterns and electronic properties of [LuGen]+/0 and [Gen+1]+/0 (n=1-17) nanoalloy clusters 期刊论文 杨兆峰;曹珍珠;Rehana Bano;杨桔材;Mazhar Amjad Gilani
17 Thermochemical Properties and Growth Mechanism of the Ag-Doped Germanium Clusters, AgGen lambda with n=1-13 and lambda =-1, 0, and+1 期刊论文 Liu Bin;Yang Jucai
18 Revisiting the structural and electronic properties of neutral, mono- and di-anionic titanium-doped silicon clusters TiSin0/-/2- (n=6-16) 期刊论文 Dong Caixia;Han Limin;Yang Jucai;Cheng Lin
19 Study on Structural Evolution, Thermochemistry and Electron Affinity of Neutral, Mono- and Di-Anionic Zirconium-Doped Silicon Clusters ZrSin0/-/2- (n=6-16) 期刊论文 Dong Caixia;Han Limin;Yang Jucai;Cheng Lin
20 Theoretical exploration of global minima, magnetism, structural stability and growth pattern of holmium-doped silicon HoSin0/- (n=10-18) nanoclusters 期刊论文 Dong Xueyan;Yang Jucai;Gilani Mazhar Amjad
查看更多信息请先登录或注册

相关项目

趋势报告

经验分享