Gang Chen
Jilin University
9 Papers
22 Citations
Gang Chen is an academic researcher from Jilin University. The author has contributed to research in topics: Density functional theory & Electronic structure. The author has an hindex of 7, co-authored 9 publications.
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Papers
Computational Screening of 2D Ordered Double Transition-Metal Carbides (MXenes) as Electrocatalysts for Hydrogen Evolution Reaction
Di Jin,Luke R. Johnson,Abhinav S. Raman,Xing Ming,Yu Gao,Fei Du,Yingjin Wei,Gang Chen,Aleksandra Vojvodic,Yury Gogotsi,Xing Meng,Xing Meng,Xing Meng +12 more
TL;DR: In this paper, density functional theory calculations are used to screen the Her reaction for sustainable energy production and plays a key role in achieving a hydrogen economy, where the HER reaction plays a crucial role in sustainable energy generation.
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Pressure-induced magnetic moment collapse and insulator-to-semimetal transition in BiCoO3
TL;DR: In this paper, the structural stability, magnetic properties and electronic structure of tetragonal BiCoO3 under pressure have been studied by first-principles density functional calculations.
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First-principles comparative study of multiferroic compound PbVO3
TL;DR: In this paper, a comprehensive first-principles investigation of the structural, electronic, magnetic and phase transition properties in multiferroic compound PbVO3 with systematic comparisons of various exchange-correlation (XC) functionals is presented.
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First-principles study of pressure-induced magnetic transition in siderite FeCO3
TL;DR: In this article, the crystal structure, electronic configuration, spin state and electronic structure of siderite FeCO 3 under pressure have been studied by first-principles calculations in the framework of density functional theory.
16
Magnetic gap in Slater insulator α′-NaV2O5
TL;DR: In this paper, the electronic structure of room-temperature (RT) phase α'-NaV2O5 has been investigated by fully selfconsistent first-principles calculations based on density functional theory (DFT).
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