164 citations · 289 across the 14 of their papers we have counts for
14 papers
Breaking the Sabatier Principle by Dynamic Adsorption-Desorption Decoupling in Electrocatalytic Hydrogen Evolution
Zi-Xuan Yang, Lei Li, Tao Huang +5
The Sabatier principle establishes a fundamental trade-off in heterogeneous electrocatalysis.In the hydrogen evolution reaction (HER), this trade-off is manifested by the coupling…
Active-Spin-State-Derived Descriptor for Hydrogen Evolution Reaction Catalysis
Yu Tan, Lei Li, Zi-Xuan Yang +7
Spin states are pivotal in modulating the electrocatalytic activity of transition-metal (TM)-based compounds, yet quantitatively evaluating the activity-spin state correlation rema…
Electronic origin of stability of 2D 1H-phase Janus transition metal dichalcogenides and beyond
Lei Li, Ji-Chun Lian, Zi-Xuan Yang +8
Janus transition metal dichalcogenides (JTMDs) monolayers have emerged as a new paradigm to broaden the family of two-dimensional (2D) materials. Despite numerous theoretical predi…
Doping-free Janus homojunction solar cell with efficiency exceeding 23%
Lei Li, Zi-Xuan Yang, Tao Huang +6
Photovoltaic solar cell is one of the main renewable energy sources, and its power conversion efficiency (PCE) is improved by employing doping or heterojunction to reduce the photo…
Symmetry-breaking-induced giant Stark effect in 2D Janus materials
Jiang-Yu Lu, Wu-Yu Chen, Lei Li +6
Symmetry breaking generally induce exotic physical properties, particularly for low-dimensional materials. Herein we demonstrate that symmetry breaking induces a giant Stark effect…
Correlation between spin state and activity for hydrogen evolution
Tao Zhang, Lei Li, Tao Huang +6
Spin plays a key role in physical and chemical reactions, such as oxygen evolution and hydrogen evolution reactions (OER/HER); but the spin-activity correlation has remained unclea…
Symmetry-breaking-induced multifunctionalities of two-dimensional chromium-based materials for nanoelectronics and clean energy conversion
Lei Li, Tao Huang, Kun Liang +5
Structural symmetry-breaking that could lead to exotic physical properties plays a crucial role in determining the functions of a system, especially for two-dimensional (2D) materi…
Algorithm for generating irreducible site-occupancy configurations
Ji-Chun Lian, Hong-Yu Wu, Wei-Qing Huang +2
Generating irreducible site-occupancy configurations by taking advantage of crystal symmetry is a ubiquitous method for accelerating of disordered structure prediction, which plays…
Substrate-induced magnetism and topological phase transition in silicene
Ke Yang, Wei-Qing Huang, Wangyu Hu +2
Silicene has shown great application potential as a versatile material for nanoelectronics, particularly promising as building block for spintronic applications. Unfortunately, des…
Can the quantum spin Hall state of silicene be preserved on substrate
Ke Yang, Wei-Qing Huang, Wangyu Hu +2
The substrate-induced topological phase transition of silience is a formidable obstacle for developing silicene-based materials and devices for compatibility with current electroni…
Origin of enhanced visible-light photocatalytic activity of transition metal (Fe, Cr and Co) doped CeO2: Effect of 3d-orbital splitting
Ke Yang, Dong-Feng Li, Wei-Qing Huang +3
Enhanced visible light photocatalytic activity of transition metal-doped ceria (CeO2) nanomaterials have experimentally been demonstrated, whereas there are very few reports mentio…
Interfacial interaction in monolayer transition metal dichalcogenides (MX2)/metal oxide heterostructures and its effects on electronic and optical properties: The case of MX2/CeO2
Ke Yang, Wei-Qing Huang, Wangyu Hu +2
Two-dimensional transition metal dichalcogenides (MX2)/metal oxide heterostructures have shown unique physical properties, making them promising materials for various applications…
2D MoS2-Graphene-based multilayer van der Waals heterostructures: Enhanced charge transfer and optical absorption, and electric-field tunable Dirac point and band gap
Liang Xu, Wei-Qing Huang, Wangyu Hu +3
Multilayer van der Waals (vdWs) heterostructures assembled by diverse atomically thin layers have demonstrated a wide range of fascinating phenomena and novel applications. Underst…
Tuning near-gap electronic structure, interface charge transfer and visible light response of hybrid doped graphene and Ag3PO4 composite: Dopant effects
Chao-Ni He, Wei-Qing Huang, Liang Xu +5
The enhanced photocatalytic performance of doped graphene(GR)/semiconductor nanocomposites have recently been widely observed, but an understanding of the underlying mechanisms beh…