刘晓洁

项目：
1. 东北师范大学理论物理材料计算与模拟研究团队的学术交流平台建设，国家自然科学基金项目，2018年
2. 金属插入对石墨烯物化性质调控的理论研究，国家自然科学基金项目，2015年
3. 石墨烯表面金属纳米材料物化性质及其应用的研究，省、市、自治区科技项目，2015年
论文：
1. Chemical activity, oxidation resistance and infrared transparency of (Ti3C2)n quantum dots induced by quantum confinement effect，SURFACES AND INTERFACES，2024年
2. Interfacial configuration and interfacial regulation of electronic properties of MoS2 heterophase junctions，MATERIALS CHEMISTRY AND PHYSICS，2023年
3. A Li–F co-doped g-C3N4/TiO2-B(001) heterostructure as an efficient hydrogen evolution photocatalyst，SUSTAINABLE ENERGY & FUELS，2023年
4. Role of Interfacial Built-In Electric Field Induced by Fluorine Selective Substitution-Doped g-C3N4 in Photocatalysis of the g-C3N4/TiO2-B(001) Heterostructure: Type-II or Z-Scheme Photocatalytic Mechanism?，JOURNAL OF PHYSICAL CHEMISTRY C，2023年
5. First-principles study of the effect of non-stoichiometry on sensing mechanism of NOx on WO3(001) surfaces，MATERIALS TODAY COMMUNICATIONS，2022年
6. Unveiling composition dependent electronic behaviors of tunnel Na3-xHxTi4O9: Stability and oscillatory band gap，JOURNAL OF SOLID STATE CHEMISTRY，2022年
7. g-C3N4/TiO2-B{100} heterostructures used as promising photocatalysts for water splitting from a hybrid density functional study，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2022年
8. Strain-driven anisotropic AgI-S chains and semiconductor-to-metal transition in monoclinic Ag2S，JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS，2022年
9. Hybrid heterostructure of transition metal dichalcogenides as potential photocatalyst for hydrogen evolution，APPLIED SURFACE SCIENCE，2022年
10. Comparative Study of Proton Exchange in Tri- and Hexatitanates: Correlations between Stability and Electronic Properties，INORGANIC CHEMISTRY，2022年
11. Effect of the co-adsorption of small molecules from air on the properties of penta-graphene and their proton transfer calculation，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2022年
12. Interactions and electronic properties of adatom/Gra/adatom sandwich complexes，MATER CHEM PHYS，2021年
13. Mechanism of Metal Intercalation under Graphene through Small Vacancy Defects，J PHYS CHEM C，2021年
14. Electronic and optical properties of gold-doped endohedral fullerenes，J MATER SCI，2020年
15. Amorphous Ag2-xCuxS quantum dots: "all-in-one" theranostic nanomedicines for near-infrared fluorescence/photoacoustics dual-modal-imaging-guided photothermal therapy，CHEM ENG J，2020年
16. Effect of intrinsic vacancy defects on the electronic properties of monoclinic Ag2S，MATER CHEM PHYS，2020年
17. Defect-mediated intercalation of dysprosium on buffer layer graphene supported by SiC(0001) substrate，CHEM PHYS LETT，2020年
18. Structures and stabilities of glycine and water complexes，CHEM PHYS，2020年
19. Theoretical investigation of dissociative and non-dissociative acetic-acid on TiO2-B surfaces，APPL SURF SCI，2019年
20. The effect of oxidation on the electronic properties of penta-graphene: first-principles calculaiton，RSC ADVANCES，2019年
21. Niobium-Doped TiO2: Effect of an Interstitial Oxygen Atom on the Charge State of Niobium，INORG CHEM，2019年
22. Ring-Stacking Water Clusters: Morphology and Stabilities，CHEMISTRYOPEN，2019年
23. VESTA在固体物理教学中的应用，当代教育实践与教学研究，2018年
24. First-principles study of electronic properties of Cu doped Ag2S，J PHYS-CONDENS MAT，2018年
25. Dy adsorption and penetration on defected graphene by firstprinciples calculations，Materials Research Express，2018年
26. Oscillatory electrostatic potential on graphene induced by group IV element decoration，SCIENTIFIC REPORTS，2017年
27. Transition metal partially supported graphene: Magnetism and oscillatory electrostatic potentials，J APPL PHYS，2017年
28. Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films，J PHYS-CONDENS MAT，2017年
29. Interplay between surface and surface resonance states on height selective stability of fcc Dy(111) film at nanoscale，PHYS CHEM CHEM PHYS，2016年
30. Growth mode and structures of magnetic Mn clusters on graphene，RSC ADVANCES，2016年
31. Metal intercalation-induced selective adatom mass transport on graphene，Nano Research ，2016年
32. Growth morphology and properties of metals on graphene，PROG SURF SCI，2015年
33. Charge oscillations and interaction between potassium adatoms on graphene studied by first-principles calculations，PHYS REV B，2015年
34. Structures and magnetic properties of Fe clusters on graphene，PHYS REV B，2014年
35. Magnetic Moment Enhancement for Mn7 Cluster on Graphene，J PHYS CHEM C，2014年
36. Quantum confinement induced oscillatory electric field on a stepped Pb(111) film and its influence on surface reactivity，PHYS REV B，2014年
37. Metals on Graphene: Interactions, Growth Morphology, and Thermal Stability，CRYSTALS，2013年
38. Electronic and spin transport properties of graphene nanoribbon mediated by metal adatoms: a study by the QUAMBO-NEGF approach，J PHYS-CONDENS MAT，2013年
39. Growth morphology and thermal stability of metal islands on graphene，PHYS REV B，2012年
40. Metals on graphene: correlation between adatom adsorption behavior and growth morphology，PHYS CHEM CHEM PHYS，2012年
41. Fe-Fe adatom interaction and growth morphology on graphene，PHYS REV B，2011年
42. Bonding and charge transfer by metal adatom adsorption on graphene，PHYS REV B，2011年
43. Energetic and fragmentation stability of water clusters (H2O)n,n=2-30，CHEM PHYS LETT，2011年
44. Adsorption and growth morphology of rare-earth metals on graphene studied by ab initio calculations and scanning tunneling microscopy，PHYS REV B，2010年