Chenggang Li

发表

Stability and catalytic activity of Au30M12 (M = Au, Ag, Cu, Pt) icosahedral clusters

Hongfei Li, Huiyan Zhao, Zun Xie, 2020 .

Probing the structural, electronic and spectral properties of a NbB20 − cluster

Lin Cheng, Chenggang Li, Yingqi Cui, 2021 .

Density functional theory study of the structures and electronic properties of copper and sulfur doped copper clusters

Yu-quan Yuan, Yanan Tang, Yanfei Hu, 2016 .

Geometries, stabilities and electronic properties of copper and selenium doped copper clusters: Density functional theory study

Weiguang Chen, Yu-quan Yuan, Yanan Tang, 2017 .

Quantum Chemistry Study on the Structures and Electronic Properties of Bimetallic Ca2-Doped Magnesium Ca2Mgn (n = 1–15) Clusters

Chenggang Li, Y. Li, Bao-zeng Ren, 2022, Nanomaterials.

Systematic investigation of geometric structures and electronic properties of lithium doped magnesium clusters

Yu-quan Yuan, Chenggang Li, Bao-zeng Ren, 2021 .

Reaction mechanisms for CO catalytic oxidation on monodisperse Mo atom-embedded graphene

Weiguang Chen, X. Dai, Yanan Tang, 2015, Applied Physics A.

Adsorption behavior of Co anchored on graphene sheets toward NO, SO2, NH3, CO and HCN molecules

Weiguang Chen, D. Ma, X. Dai, 2015 .

A density functional investigation on the structures, electronic, spectral and fluxional properties of VB20- cluster

Huijian Li, Gao Zhao, Yanfei Hu, 2021 .

A comparative study of CunX (X = Sc, Y; n = 1–10) clusters based on the structures, and electronic and aromatic properties

Yanfei Hu, Chenggang Li, Jin-Hai Gao, 2019, New Journal of Chemistry.

Structures, stabilities, and electronic properties of the neutral and anionic SinSmλ (n = 1–9, λ = 0, −1) clusters: comparison with pure silicon clusters

Daobin Luo, Libo Pan, Peng Shao, 2015, Theoretical Chemistry Accounts.

Geometric Stability, Electronic Structure and Reactivity of Pt4 Cluster Supported on Defective Graphene

Weiguang Chen, X. Dai, Yanan Tang, 2015 .

A computational study of CO oxidation reactions on metal impurities in graphene divacancies.

Weiguang Chen, D. Ma, X. Dai, 2018, Physical chemistry chemical physics : PCCP.

High catalytic activity for CO oxidation on single Fe atom stabilized in graphene vacancies

Weiguang Chen, X. Dai, Yanan Tang, 2016 .

Reaction mechanisms for CO catalytic oxidation on monodisperse Mo atom-embedded graphene

Weiguang Chen, X. Dai, Yanan Tang, 2015 .

Theoretical study on the removal of adsorbed sulfur on Pt anchored graphene surfaces

Weiguang Chen, Zhiyong Liu, X. Dai, 2015 .

Geometric stability, electronic structure, and intercalation mechanism of Co adatom anchors on graphene sheets

Weiguang Chen, X. Dai, Wei Li, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Structures, stabilities and electronic properties of boron-doped silicon clusters B3Sin (n=1–17) and their anions

Yanfei Hu, Chenggang Li, Wancang Song, 2018, Molecular Physics.

Study on structures, electronic, spectral and thermodynamic properties of Lanthanide-doped boron-based MBn− (M=La, Ce, Pr; n=8, 9) clusters

Chenggang Li, Yufen Yuan, Z. Shen, 2022, Journal of Molecular Structure.

Theoretical Study of Epoxy Group Adsorption and Diffusion on Pristine, Defected Graphene Sheets

Weiguang Chen, X. Dai, Yanan Tang, 2015 .

First-principle study of structural, electronic and magnetic properties of (FeC)n (n = 1–8) and (FeC)8TM (TM = V, Cr, Mn and Co) clusters

Yanan Tang, Chenggang Li, Yan Hu, 2017, Scientific Reports.

Theoretical investigation on thermodynamics and stability of anti-perovskite MgCNi3 superconductor

Yanan Tang, H. Tian, Dingyuan Zhang, 2021 .

Computational Studies on the ScnNm (n + m=10) Clusters: Structure, Electronic and Vibrational Properties

Yanfei Hu, Chenggang Li, Bao-zeng Ren, 2018, Journal of Cluster Science.

Pressure-induced reconstructive phase transitions, polarization with metallicity, and enhanced hardness in antiperovskite MgCNi3.

X. Kuang, Yanan Tang, A. Mao, 2021, Physical chemistry chemical physics : PCCP.

Pressure-induced novel metallic phase in non-stoichiometric cadmium selenides: A first-principles study

Yanan Tang, Chenggang Li, Jin-Hai Gao, 2019, Computational Materials Science.

Insights into the structures and electronic properties of Cun+1μ and CunSμ (n = 1–12; μ = 0, ±1) clusters

Weiguang Chen, Yanan Tang, Yanfei Hu, 2017, Scientific Reports.

Effects of Gd3+ doping on the microstructure and electrochemical properties of Li1.20[Mn0.54Ni0.13Co0.13]O2 as cathode for lithium-ion batteries

Yanan Tang, Zigang Shen, Dong Li, 2018, Journal of Materials Science: Materials in Electronics.

Structures, stabilities and electronic properties of the bimetal V2-doped Sin (n = 1–10) clusters: a density functional investigation

Weiguang Chen, Wenjing Li, Yanfei Hu, 2020, The European Physical Journal D.

Analysis of the structures, stabilities and electronic properties of MB16− (M = V, Cr, Mn, Fe, Co, Ni) clusters and assemblies

Yanfei Hu, Chenggang Li, Z. Shen, 2020 .

Strain-Induced Structural Phase Transitions in Epitaxial (001) BiCoO3 Films: A First-Principles Study

Chenggang Li, Hao Tian, Hongwei Zhang, 2023, Nanomaterials.

The formation of H2S on metal-modified graphene under hydrogen environments

Weiguang Chen, X. Dai, Yanan Tang, 2016 .