Work
Publications:
97. Gold Single Atom Doped Defective Nanoporous Copper Octahedrons for Electrocatalytic Reduction of Carbon Dioxide to Ethylene, ACS nano , 2025
96. Chemical versus physical pressure effects on the structure transition of bilayer nickelates, npj Quantum Materials , 2025
95. Doping Elemental 2D Semiconductor Te through Surface Se Substitutions, Phys. Rev. Lett. , 2024
94. Configurational Isomerization‐Induced Orientation Switching: Non‐Fused Ring Dipodal Phosphonic Acids as Hole‐Extraction Layers for Efficient Organic Solar Cells, Angewandte Chemie , 2024
93. Raman scattering study of electron-phonon coupling in superconducting LaRu2P2, Physical Review B , 2024
92. GPTFF: A high-accuracy out-of-the-box universal AI force field for arbitrary inorganic materials, Science Bulletin , 2024
91. Anisotropic optical response of Nb2SiTe4 under pressure, Applied Physics Letters , 2024
90. Transparent Conducting TiO2 Thin Film Induced by Electric‐Field Controlled Hydrogen Ion Intercalation, Advanced Electronic Materials , 2024
89. Coexistence of superconductivity and topological phase in kagome metals ANb3Bi5 (A = K, Rb, Cs), npj Computational Materials , 2024
88. Record-High Tc and Dome-Shaped Superconductivity in a Medium-Entropy Alloy TaNbHfZr under Pressure up to 160 GPa, Phys. Rev. Lett. , 2024
87. Strong electron-phonon coupling in Ba1-xSrxNi2As2, Physical Review B , 2024
86. Weberite Na2MM'F7 (M,M'=Redox-Active Metal) as Promising Fluoride-Based Sodium-Ion Battery Cathodes, J. Mater. Chem. A , 2024
85. Recent Breakthrough in AI-Driven Materials Science: Tech Giants Introduce Groundbreaking Models, Materials Futures , 2024
84. Predicting structure-dependent Hubbard U parameters via machine learning, Materials Futures , 2024
83. Electrochemically and chemically stable electrolyte–electrode interfaces for lithium iron phosphate all-solid-state batteries with sulfide electrolytes, Journal of Materials Chemistry A , 2024
82. MatChat: A large language model and application service platform for materials science, Chinese Physics B , 2023
81. Low‐Cost Preparation of High‐Performance Na‐B‐H‐S Electrolyte for All‐Solid‐State Sodium‐Ion Batteries, Advanced Science , 2023
80. Energy Landscape and Phase Competition of CsV3Sb5, CsV6Sb6 and TbMn6Sn6-Type Kagome Materials, Chinese Physics Letters , 2023
79. Collective Behavior of Single-Atom Catalysts: A Synergistic Effect between Strain and Site Configuration, The Journal of Physical Chemistry Letters , 2023
78. Percolation-induced resistivity drop in lutetium dihydride with controllable electrical conductivity over six orders of magnitude, Science China Physics, Mechanics & Astronomy , 2023
77. Fe-doping-induced cation substitution and anion vacancies promoting Co3O4 hexagonal nanosheets for efficient overall water splitting, Materials Today Catalysis , 2023
76. 关于信息技术驱动未来产业的若干思考, 中国科学院院刊 , 2023
75. Superconductivity up to 17 K in the high-pressure rhombohedral-I phase of ReO3: a potential oxide analogy of hydride superconductors, arXiv , 2023
74. Electron-phonon interactions in LuH2, LuH3, and LuN, arXiv , 2023
73. Lu-H-N phase diagram from first-principles calculations, Chinese Physics Letters , 2023
72. Synthesizability of transition-metal dichalcogenides: a systematic first-principles evaluation, Materials Futures , 2023
71. Atomly.net materials database and its application in inorganic chemistry, SCIENTIA SINICA Chimica , 2023
70. A universal model for accurately predicting the formation energy of inorganic compounds, Science China Materials , 2023
69. Synchronous Doping Effects of Cathode Interlayers on Efficient Organic Solar Cells, ACS Energy Letters , 2022
68. Engineered Kondo screening and nonzero Berry phase in SrTiO3/LaTiO3/SrTiO3 heterostructures, Physical Review B , 2022
67. Persona of Transition Metal Ions in Solids: A Statistical Learning on Local Structures of Transition Metal Oxides, Advanced Science , 2022
66. Orbital Dependence in Single-Atom Electrocatalytic Reactions, The Journal of Physical Chemistry Letters , 2022
66. Superconductive materials with MgB2-like structures from data-driven screening, Phys. Rev. B , 2022
64. Pressure-induced evolution of structure and electronic property of GeP, Journal of Applied Physics , 2022
63. Unconventional materials: the mismatch between electronic charge centers and atomic positions, Science Bulletin , 2022
62. Screening promising CsV3Sb5-like kagome materials from systematic first-principles evaluation, Chinese Physics Letters , 2022
61. Inorganic all-solid-state lithium-sulfur batteries enhanced by facile thermal formation, Energy Storage Materials , 2022
60. Artificial intelligence: A powerful paradigm for scientific research, The Innovation , 2021
59. Dual carbon-hosted Co-N3 enabling unusual reaction pathway for efficient oxygen reduction reaction, Applied Catalysis B: Environmental , 2021
58. Viable substrates for the honeycomb-borophene growth, Physical Review Materials , 2021
57. High-Throughput Screening of Element-Doped Carbon Nanotubes Toward an Optimal One-Dimensional Superconductor, The Journal of Physical Chemistry Letters , 2021
56. Dynamical evolution of anisotropic response of type-II Weyl semimetal TaIrTe4 under ultrafast photoexcitation, Light: Science & Applications , 2021
55. Topotactic phase transformations by concerted dual-ion migration of B-site cation and oxygen in multivalent cobaltite La–Sr–Co–Ox films, Nano Energy , 2020
54. High pressure effect on the phase transition and in-plane anisotropy of SnSe, Journal of Alloys and Compounds , 2020
53. Anomalous lattice shrinking of LaTiO3 thin film on SrTiO3 (111) induced by three-dimensional electron transfer, Journal of Applied Physics , 2020
52. Vacancy occupation-driven polymorphic transformation in cobalt ditelluride for boosted oxygen evolution reaction, ACS nano , 2020
51. Simplifying and accelerating kinetics enabling fast-charge Al batteries, J. Mater. Chem. A , 2020
50. Using strain to alter the energy bands of the monolayer MoSe2: a systematic study covering both tensile and compressive states, Applied Surface Science , 2020
49. In-situ resonant band engineering of solution-processed semiconductors generates high performance n-type thermoelectric nano-inks, Nature Communications , 2020
48. Charge Transfer Engineering via Multiple Heteroatom Doping in Dual Carbon-Coupled Cobalt Phosphides for Highly Efficient Overall Water Splitting, Applied Catalysis B: Environmental , 2020
47. Rational Construction of Nitrogen‐Doped Hierarchical Dual‐Carbon for Advanced Potassium‐Ion Hybrid Capacitors, Advanced Energy Materials , 2020
46. Boronization-Induced Ultrathin 2D Nanosheets with Abundant Crystalline–Amorphous Phase Boundary Supported on Nickel Foam Towards Efficient Water Splitting, Advanced Energy Materials , 2020
45. Charge Transfer Engineering via Multiple Heteroatom Doping in Dual Carbon-Coupled Cobalt Phosphides for Highly Efficient Overall Water Splitting, Applied Catalysis B: Environmental , 2019
44. High-throughput prediction of the ground-state collinear magnetic order of inorganic materials using Density Functional Theory, NPJ Computational Materials , 2019
43. Iron-Doping-Induced Phase Transformation in Dual Carbon Confined Cobalt Diselenide Enabling Superior Lithium Storage, ACS nano , 2019
42. Oriented Transformation of Co-LDH into 2D/3D ZIF-67 to Achieve Co-N-C Hybrids for Efficient Overall Water Splitting, Advanced Energy Materials , 2019
41. Two-Dimensional Dual Carbon-Coupled Defective Nickel Quantum Dots Towards Highly Efficient Overall Water Splitting, Applied Catalysis B: Environmental , 2019
40. Flat AgTe Honeycomb Monolayer on Ag(111), Journal of Physical Chemistry Letters , 2019
39. Exploring the Sodium Ion Storage Mechanism of Gallium Sulfide (Ga2S3): A Combined Experimental and Theoretical Approach, Nanoscale , 2019
38. Garnet Electrolyte Surface Degradation and Recovery, ACS Appl. Energy Mater. , 2018
37. Rationalizing Perovskites Data for Machine Learning and Materials Design, Journal of Physical Chemistry Letters , 2018
36. Screening magnetic two-dimensional atomic crystals with nontrivial electronic topology, Journal of Physical Chemistry Letters , 2018
35. Al2O3 coated LiCoO2 as cathode for high-capacity and long-cycling Li-ion batteries, Chinese Chem. Lett. , 2018
34. Li2S–Embedded copper metal–organic framework cathode with superior electrochemical performance for Li–S batteries, New J. Chem., 2018
33. Utilizing a metal as a sulfur host for high performance Li-S batteries, Nano Energy , 2018
32. Dynamic Hosts for High Performance Li-S Batteries Studied by Cryo-TEM and In Situ XRD , ACS Energy Lett. , 2018
31. Ultrafine Co Nanoparticles Encapsulated in Carbon Nanotubes-Grafted Graphene Sheets as Advanced Electrocatalysts for Hydrogen Evolution Reaction, Advanced Materials , 2018
30. Electronic coupling-tunable of cobalt sulfide/carbon composites for optimizing oxygen evolution reaction activity, J. Mater. Chem. A , 2018
29. Strongly coupling of Co9S8/Zn-Co-S heterostructures rooted in carbon nanocages towards efficient oxygen evolution reaction, Journal of Catalysis , 2018
28. Origin of negative thermal expansion in Zn2GeO4 revealed by high pressure study, Journal of Physics D: Applied Physics , 2018
27. Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models, Journal of Physical Chemistry Letters , 2018
26. General Synthesis of Dual Carbon-Confined Metal Sulfides Quantum Dots Towards High-Performance Anodes for Sodium-Ion Batteries, Advanced Functional Materials , 2017
25. Fast Mg2+ Diffusion in Mo3(PO4)3O for Mg Batteries, ChemComm, 2017
24. Thickness-dependent phase transition and optical behavior of MoS2 films under high pressure , Nano Research, 2017
23. Surface doping of nanostructures , US Patent App. 15/254,148, 2016
22. Anharmonicity of monolayer MoS2, MoSe2, and WSe2: A Raman study under high pressure and elevated temperature, Applied Physics Letters, 2017
21. The Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges, Chemical Reviews, 2017
20. High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials, Scientific Data, 2017
19. Evaluation of sulfur spinel compounds for multivalent battery cathode applications, Energy Environmental Science, 2016
18. A High Capacity Thiospinel Cathode for Mg Batteries, Energy Environmental Science, 2016
17. Strain-Mediated Interfacial Dynamics During Au-PbS Core-Shell Nanostructure Formation, ACS nano, 2016
16. Is alpha-V 2 O 5 a cathode material for Mg insertion batteries?, Journal of Power Sources, 2016
15. Materials Design Rules for Multi-Valent Ion Mobility in Intercalation Structures, Chem. Mater., 2015
14. First-principles evaluation of Multi-valent cation insertion into Orthorhombic V2O5, Chemical Communications, 2015
13. Tunable metal-insulator transition in Nd1-xYxNiO3 (x=0.3,0.4) perovskites thin film at near room temperature, Applied Physics Letters, 2015
12. Spinel Compounds as Multivalent Battery Cathodes: A Systematic Evaluation Based on ab initio Calculations, Energy Environmental Science, 2015
11. Photoluminescence of Monolayer MoS2 on LaAlO3 and SrTiO3 substrates, Nanoscale, 2014
10. Quantum Manifestation of Elastic Constants in Nanofilms, Nanotechnology, 2014
9. Interplay between Quantum Size Effect and Strain Effect on Growth of Nanoscale Metal Thin Film, Phys. Rev. B, 2012
8. Quantum Electronic Stress: Density-Functional-Theory Formulation and Physical Manifesta- tion, Phys. Rev. Lett., 2012
7. Chemical versus thermal folding of graphene edges, Nano Research, 2011
6. Bistability of nanoscale Ag islands on a Si(111)-(4x1)-In surface induced by anisotropic stress, Phys. Rev. Lett., 2009
5. Quantum Manifestations of Graphene Edge Stress and Edge Instability: A First-Principles Study, Phys. Rev. Lett., 2009
4. Comparison study of the luminescent properties of the white-light long afterglow phosphors: CaxMgSi2O5+x:Dy3+(x = 1, 2, 3), Journal of Luminescence, 2009
3. Collective magnetic behavior of graphene nanohole superlattices, Nano Research, 2008
2. Local Structure of Nanocrystalline Lu2O3:Eu Studied by X-ray Absorption Spectroscopy, J. Phys. Chem. C, 2007
1. The Valence of Rare Earth Ions in R2MgSi2O7 :Eu,Dy (R=Ca,Sr) Long-afterglow Phosphors, Phys Status Solidi A, 2004
