22 Papers
28 Citations
H. Cui is an academic researcher from Shaanxi University of Technology. The author has contributed to research in topics: Density functional theory & Catalysis. The author has an hindex of 3, co-authored 14 publications.
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Papers
Hydrogen evolution from MoSe2/WO3(0 0 1) heterojunction by photocatalytic water splitting: A density functional theory study
Tong Liu,Yazhou Wang,Pengyue Shan,Yunjian Chen,Xingchen Zhao,Weizhi Tian,Ying Zhang,Rong Feng,Hongkuan Yuan,H. Cui +9 more
TL;DR: In this article, the density functional theory (DFT) was used to reveal the internal causes of the photogenerated carrier migration path and the photocatalytic mechanism.
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Bilayer MN4-O-MN4 by bridge-bonded oxygen ligands: Machine learning to accelerate the design of bifunctional electrocatalysts
Pengyue Shan,Xue Bai,Q. Y. Jiang,Yunjian Chen,Sen Lu,Pei Song,Zepeng Jia,Taiyang Xiao,Yang Han,Yazhou Wang,Tong Liu,H. Cui,Rong Feng,Qin Kang,Zhiyong Liang,Hongkuan Yuan +15 more
TL;DR: In this paper , a series of efficient monofunctional and bifunctional electrocatalysts were successfully predicted with an average prediction error of only 0.04 V and 0.06 V for ORR and OER overpotential.
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Bandgaps properties of III-phosphides (BP, AlP, GaP, InP) materials excited by ultrasonic
TL;DR: In this article, the first band gap width and acousto-optic coupling strength of Ⅲ-phosphide materials excited by ultrasonic and terahertz wave collinear transmission is investigated.
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A novel dehydrogenation style of NH3BH3 by catalyst of transition metal clusters
Tingwei Zhou,Guanqi Wang,H. Cui,Hongkuan Yuan,Anlong Kuang,C. L. Tian,Junzhong Wang,Hong Chen +7 more
TL;DR: In this paper, using the density functional theory (DFT) method, AB dehydrogenation mechanistic routes underscores the importance of formations of metal-dihydrogen intermediate in the presence of Cu2, Fe2 and FeCu dimers and Fe12 Cu cluster.
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4 f -block elemental-atom-embedded gh − C 3 N 4 monolayers: Large magnetic moment, high-temperature ferromagnetism, and huge magnetic anisotropy energy
Hongkuan Yuan,Yaqing Chen,Xiaotian Wang,Mingmin Zhong,Tie Yang,Peng Wang,Meng Ju,H. Cui,Hong Chen +8 more
TL;DR: In this article, the structural stability, electronic structures, and magnetic properties of graphenel-like carbon-nitride sheets with the adsorption of whole series of elemental (lanthanide; Ln) atoms were investigated.
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