成果/Result
- Density functional theory study of transition metal single-atoms anchored on graphyne as efficient electrocatalysts for the nitrogen reduction reaction被引量：50收藏
- 作者：Song, Wei Xie, Kun Wang, Jinlong Guo, Yongliang He, Chaozheng Fu, Ling
- 机构：Henan Inst Technol;Henan Polytech Univ;Xinxiang Univ;Xian Technol Univ;Xian Technol Univ
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2021
- 关键词：Ammonia - Chemical industry - Electrocatalysts - Electrolysis - Electronic properties - Free energy - Nitrogen - Organic chemicals - Transition metals
- Designing SnS/MoS2 van der Waals heterojunction for direct Z-scheme photocatalytic overall water-splitting by DFT investigation被引量：3收藏
- 作者：Jia, Xiaofang Wang, Jinlong Lu, Yue Sun, Jiaming Li, Yang Wang, Yuyan Zhang, Junying
- 机构：Beihang Univ;Xinxiang Univ;Tsinghua Univ
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2022
- 关键词：Binding energy - Calculations - Design for testability - Electric fields - Electronic structure - Free energy - Gibbs free energy - Heterojunctions - Inorganic compounds - IV-VI semiconductors - Layered semiconductors - Light absorption - Molybdenum compounds - Selenium compounds - Solar energy - Sulfur compounds - Tin compounds - Water absorption
- Amino Acid Detection with Bare Eyes Based on Two Different Concentrations of Iodides as Sensor Receptors被引量：2收藏
- 作者：Li, Li Gu, Xuewei Wang, Junli Chen, Zhengbo
- 机构：Xinxiang Univ;Anhui Normal Univ;Capital Normal Univ
- 来源：FOOD ANALYTICAL METHODS 2021
- 关键词：Colorimetric Iodide Sensing array Sulfur-containing amino acid Linear discriminant analysis
- First-principles study of medium-scale X-atoms-doped nickel clusters Nin-1X (X = C, Si, Ge, Sn, Pb; n=19-23)被引量：1收藏
- 作者：Song, Wei Ma, Peng-fei Fu, Zhe Wang, Jin-long Zhang, Wei
- 机构：Henan Inst Technol;Xinxiang Univ;Xinxiang Univ;Jilin Univ
- 来源：THEORETICAL CHEMISTRY ACCOUNTS 2020
- 关键词：Density functional theory Magnetic moment Charge transfer Electronic property Stability
- Theoretical study of the structures and electronic properties for NiX (X = Na-Cl) clusters被引量：0收藏
- 作者：Song, Wei Ma, Peng-fei Fu, Zhe Wang, Jin-long Zhang, Wei
- 机构：Henan Inst Technol;Xinxiang Univ;Xinxiang Univ;Jilin Univ
- 来源：APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING 2020
- 关键词：First-principles Magnetic property Charge transfer Density of states Stability
