论文著作:
(1) Two-dimensional π-conjugated metal bis(dithiolene) nanosheet: A promising anchoring material for lithium-sulfur batteries, Computational Materials Science, 2020, 171: 109228
(2) Metal distribution in iron-nickel sulfide mineral pentlandite: First-principles study, Chemical Physics Letters, 2019, 736, 136786
(3) Theoretical insight into the hydrogen adsorption on MoS2 (MoSe2) monolayer as a function of biaxial strain/external electric field, Applied Surface Science 2019, 478: 857-865.
(4) Doping MoS2 monolayer with nonmetal atoms to tune its electronic and magnetic properties, and chemical activity: a computational study, New Journal of Chemistry, 2019, 43: 5766-5772
(5) Heterostructured Ag/g‐C3N4 /TiO2 with enhanced visible light photocatalytic performances, Journal of Chemical Technology & Biotechnology, 2019, 94: 3806-3814
(6) Doping Cu Atoms Excel as the Functional Material to Tune the Wettability for TMeNs Hard Coating, Advanced Materials Interfaces, 2018, 5: 1800391.
(7) Enhanced Stability of PtML/MML/WC(0001) Multilayer Alloys under Electrochemical Conditions: A First Principle Study, ACS Applied Materials & Interfaces, 2018, 10: 15704-15711.
(8) The catalytic activity and mechanism of oxygen reduction reaction on P-doped MoS2, Physical Chemistry Chemical Physics, 2018, 20: 18184-18191.
(9) A coupling effects of vacancy and Al (Ga, In) dopant on electronic structures of hexagonal boron nitride monolayer, Materials Research Express, 2017, 4: 116302.
(10)Engineering Pt/Pd Interfacial Electronic Structures for Highly Efficient Hydrogen Evolution and Alcohol Oxidation, ACS Applied Materials and Interfaces, 2017, 9: 18008-18014.
(11)Fundamental insights into the electronic structure of zigzag MoS2 nanoribbons, Physical Chemistry Chemical Physics, 2016, 18: 4675-4683.
(12)Interaction of Rhodamine 6G molecules with graphene: a combined computational–experimental study, Physical Chemistry Chemical Physics, 2016, 18: 28418-28427.
(13)Confinement of massless Dirac fermions in the graphene matrix induced by the B/N heteroatoms, Physical Chemistry Chemical Physics, 2015, 17: 5586-5593.
(14)TM atoms on B/N doped defective graphene as a catalyst for oxygen reduction reaction: a theoretical study, RSC Advances, 2015, 5: 82804-82812.