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清华大学 [23]

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	Prediction of chemical short-range order in high-/medium-entropy alloys 期刊论文 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 169, 页码: 115-123 作者: Cao, Pei-Yu; Wang, Jing; Jiang, Ping; Wang, Yun-Jiang; Yuan, Fu-Ping 收藏 \| 浏览/下载：28/0 \| 提交时间：2023/10/10 Short-range order High-entropy alloy Microstructure First-principles calculation Gibbs free energy Local electronic density of states
	Effect of Co-Doping on the Stability of γ'-Ni3Al: A First-Principles Study 期刊论文 Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753 作者: Li, Yamin; Chen, Yinping; Liu, Hongjun 收藏 \| 浏览/下载：20/0 \| 提交时间：2020/12/18 Atoms Charge transfer Chemical bonds Density functional theory Electronic density of states Electrons Fermi level Heat treatment Nickel compounds Stability Bonding characteristics Bonding electrons Density difference First-principles density functional theory First-principles study Formation enthalpy Orbital hybridization Plane-wave pseudopotential method
	Largely Enhanced Seebeck Coefficient and Thermoelectric Performance by the Distortion of Electronic Density of States in Ge2Sb2Te5 期刊论文 ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 37, 页码: 34046 作者: Hu, Ping; Wei, Tian-Ran; Qiu, Pengfei; Cao, Yan; Yang, Jiong 收藏 \| 浏览/下载：68/0 \| 提交时间：2019/12/26 thermoelectric Ge2Sb2Te5 electronic density of states resonant level bonding character
	An enhanced butanone sensing performance of Er0.7Yb0.3FeO3 material with the proper electronic structure. 期刊论文 Journal of Alloys & Compounds, 2019, 卷号: Vol.772, 页码: 263-271 作者: Liu, Xiaohua; Qin, Xixi; Ji, Huiming; Wang, Mingjing 收藏 \| 浏览/下载：6/0 \| 提交时间：2019/12/17 ANNEALING of metals ELECTRONIC density of states RARE earth metal alloys ENERGY gaps (Physics) X-ray photoelectron spectra
	Two-Dimensional Amorphous TiO2 Nanosheets Enabling High-Efficiency Photoinduced Charge Transfer for Excellent SERS Activity 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 141, 页码: 5856-5862 作者: Wang, Xiaotian; Shi, Wenxiong; Wang, Shaoxiong; Zhao, Hewei; Lin, Jie 收藏 \| 浏览/下载：59/0 \| 提交时间：2019/12/30 Amorphous semiconductors Charge transfer Coordination reactions Density functional theory Electronic density of states Energy gap Molecules Nanosheets Raman scattering Surface scattering Titanium dioxide Charge transfer complex Crystalline counterpart Electrostatic potentials First-principles density functional theory Kelvin probe force microscopy Photoinduced charge transfer Semiconductor nanomaterials Surface enhanced Raman Scattering (SERS) Substrates
	Enhancing the interfacial interaction of carbon nanotubes fibers by Au nanoparticles with improved performance of the electrical and thermal conductivity 期刊论文 CARBON, 2019, 卷号: 141, 页码: 497-505 作者: Qiu, Lin; Zou, Hanying; Wang, Xiaotian; Feng, Yanhui; Zhang, Xinxin 收藏 \| 浏览/下载：9/0 \| 提交时间：2019/12/30 Carbon nanotubes Electronic density of states Fibers Gold nanoparticles Heat transfer Nanoparticles Yarn Electrical transport Energy transmission Functional devices Interfacial interaction Low-frequency phonon Thermal interface materials Thermal transport Van Hove singularities Thermal conductivity
	Passivation effect of Cl, F and H atoms on CuIn0.75Ga0.25Se2 (1 1 2) surface 期刊论文 Applied Surface Science, 2018, 卷号: 442, 页码: 650-657 作者: Qi, Rong-fei; Wang, Zhao-hui; Tang, Fu-ling; Agbonkina, Itohan C.; Xue, Hong-tao 收藏 \| 浏览/下载：0/0 \| 提交时间：2020/11/14 Adsorption Atoms Bond length Calculations Chlorine Copper alloys Electronic properties Fermi level Gallium alloys Indium alloys Passivation Semiconductor alloys Surface reconstruction Surface states Adsorption energies Density of state Effect of adsorptions First-principles calculation Hexagonal close packed Passivation effect Self-passivation Surface state density
	Analysis of the Bi-2212 Superconducting Mechanism and the Reason of H2S Zero-Resistance Phenomenon by First Principle Calculations 期刊论文 Materials China, 2017, 卷号: 36, 页码: 344-351 作者: Lu, Tianni; Sun, Yuyan; Qi, Ming; Zhou, Lian 收藏 \| 浏览/下载：2/0 \| 提交时间：2019/11/26 Bi-2212 doping Electronic reunion First principle calculation H2S Partial density of states
	Bonding and electronic properties of the Cu2ZnSnS4 /WZ-ZnO interface from first-principles calculations 期刊论文 Journal of Physics D: Applied Physics, 2016, 卷号: 49, 期号: 28 作者: Cheng, Yu-Wen; Tang, Fu-Ling; Xue, Hong-Tao; Liu, Hong-Xia; Gao, Bo 收藏 \| 浏览/下载：0/0 \| 提交时间：2020/11/14 Binding energy Calculations Charge transfer Copper compounds Electronic density of states Electronic properties Heterojunctions II-VI semiconductors Lattice mismatch Semiconductor quantum wells Tin compounds Zinc oxide Band offsets Cu2ZnSnS4 Density of state First-principles calculation Interface structures Interfacial adhesions Orbital hybridization ZnO layers
	Performance enhancement in InZnO thin-film transistors with compounded ZrO2-Al2O3 nanolaminate as gate insulators 期刊论文 CERAMICS INTERNATIONAL, 2016, 卷号: 42, 页码: 8115-8119 作者: Zhang, Jianhua[1]; Ding, Xingwei[2]; Li, Jun[3]; Zhang, Hao[4]; Jiang, Xueyin[5] 收藏 \| 浏览/下载：8/0 \| 提交时间：2019/04/26 Interfaces Thin-film transistors Electronic materials Compounded dielectrics Density-of-states

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