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大连理工大学 [59]

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期刊论文 [59]

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限定条件	专题：大连理工大学第一署名单位第一作者单位通讯作者单位

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	Point defects in group III nitrides: A comparative first-principles study 期刊论文 JOURNAL OF APPLIED PHYSICS, 2019, 卷号: 125 作者: Gao, Yinlu; Sun, Dan; Jiang, Xue; Zhao, Jijun 收藏 \| 浏览/下载：81/0 \| 提交时间：2019/12/02 Aluminum nitride Binary alloys Calculations Density functional theory Energy gap Gallium nitride III-V semiconductors Nitrides Point defects Semiconductor devices Semiconductor doping Time varying systems, Defect configurations Diffusion properties Donor and acceptor First-principles study Migration barriers Native point defects Self-compensation effects Wide-bandgap semiconductor devices, Wide band gap semiconductors
	Defect stability and electronic structure of doped beta-Ga2O3: A comprehensive ab initio study 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 794, 页码: 374-384 作者: Sun, Dan; Gao, Yinlu; Xue, Jiang; Zhao, Jijun 收藏 \| 浏览/下载：5/0 \| 提交时间：2019/12/02 beta-Ga2O3 Doped Defect Irradiation
	Evolution of atomic structures of Sn-N, and Sn-N(-), and SnNCl- clusters (N=4-20): Insight from ab initio calculations 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 页码: 174304 作者: Wu, Di; Du, Qiuying; Wu, Xue; Shi, Ruili; Sai, Linwei 收藏 \| 浏览/下载：34/0 \| 提交时间：2019/12/02 Atoms Binding energy Calculations Chlorine Chlorine compounds Density functional theory Electronic properties Genetic algorithms Ionization potential Isomers Photoelectron spectroscopy Photoelectrons Photons Tin compounds, Ab initio calculations Detachment energy Energy isomers Equilibrium structures Low energy structures Photoelectron spectrum Structural frameworks Vertical detachment energies, Nitrogen compounds
	Atomic Structures and Electronic Properties of Large-Sized Ge-N Clusters (N=45, 50, 55, 60, 65, 70) by First-Principles Global Search 期刊论文 JOURNAL OF CLUSTER SCIENCE, 2019, 卷号: 30, 页码: 371-377 作者: Wu, Di; Shi, Ruili; Du, Qiuying; Wu, Xue; Liang, Xiaoqing 收藏 \| 浏览/下载：2/0 \| 提交时间：2019/12/02 Germanium cluster Structure Global search
	Realization of Strained Stanene by Interface Engineering 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 页码: 1558-1565 作者: Liu, Yani; Gao, Nan; Zhuang, Jincheng; Liu, Chen; Wang, Jiaou 收藏 \| 浏览/下载：29/0 \| 提交时间：2019/12/02 Binary alloys Calculations Electronic structure Phonons Quantum Hall effect Raman spectroscopy Scanning tunneling microscopy Spin Hall effect Substrates Tensile strain Tin alloys Topological insulators, Au (111) substrates Crystalline structure First-principles calculation In-situ Raman spectroscopy Interface engineering Quantum Spin hall effect Structural evolution Two-dimensional materials, Gold alloys
	Screening and Design of Novel 2D Ferromagnetic Materials with High Curie Temperature above Room Temperature 期刊论文 ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 页码: 39032-39039 作者: Jiang, Zhou; Wang, Peng; Xing, Jianpei; Jiang, Xue; Zhao, Jijun 收藏 \| 浏览/下载：10/0 \| 提交时间：2019/12/02 ferromagnetic materials two-dimensional materials Curie temperature superexchange interaction crystal field isoelectronic substitution
	Revisit of large-gap Si-16 clusters encapsulating group-IV metal atoms (Ti, Zr, Hf) 期刊论文 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2018, 卷号: 39, 页码: 2268-2272 作者: Wu, Xue; Zhou, Si; Huang, Xiaoming; Chen, Maodu; King, R. Bruce 收藏 \| 浏览/下载：2/0 \| 提交时间：2019/12/02 CCSD(T) density functional calculations doped silicon clusters ground states photoelectron spectrum
	Structural Evolution and Superatoms in Molybdenum Atom Stabilized Boron Clusters: MoBn (n =10-24) 期刊论文 JOURNAL OF CLUSTER SCIENCE, 2018, 卷号: 29, 页码: 847-852 作者: Wang, Yuqing; Wu, Xue; Zhao, Jijun 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/02 Molybdenum doped boron clusters Superatom Structure
	Medium-sized Si-n(-) (n=14-20) clusters: a combined study of photoelectron spectroscopy and DFT calculations 期刊论文 JOURNAL OF PHYSICS-CONDENSED MATTER, 2018, 卷号: 30 作者: Wu, Xue; Liang, Xiaoqing; Du, Qiuying; Zhao, Jijun; Chen, Maodu 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/02 silicon clusters photoelectron spectra density functional theory basis sets
	Phase Diagram of Methane Hydrates and Discovery of MH-VI Hydrate 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 页码: 6007-6013 作者: Huang, Yingying; Li, Keyao; Jiang, Xue; Su, Yan; Cao, Xiaoxiao 收藏 \| 浏览/下载：2/0 \| 提交时间：2019/12/02

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