石油化工

钠离子电池有机电极材料计算理论设计，密度泛函基础理论研究

[1] 单层石墨烯表面钠原子吸附行为的第一性原理[J]. 新型炭材料, 2019, 34(2):7.
[2] Fe2O3/rGO/CNT composite sulfur hosts with physical and chemical dual-encapsulation for high performance lithium–sulfur batteries[J]. New Journal of Chemistry, 2021 45 (46): 21582-21590.
[3] First-principles calculations on the deposition behavior of LixNay (x+y≤5) clusters during the hybrid storage of Li and Na atoms on graphene[J]. Physical Chemistry Chemical Physics, 2021, 23(38): 21817-21824.
[4] Unraveling the superior anchoring of lithium polyselenides to the confinement bilayer C2N: an efficient host material for lithium– selenium batteries[J]. Physical Chemistry Chemical Physics, 2021,23(47): 26981- 26989.
[5] Low-cost pentagonal NiX2 (X = S, Se, and Te) monolayers with strong anisotropy as potential thermoelectric materials[J]. Physical Chemistry Chemical Physics, 2022, 24(8): 5185-5198..
[6] Understanding the anchoring and catalytic effect of the Co@C2N monolayer in lithium–selenium batteries: a first-principles study[J]. Nanoscale, 2021,13(38): 16316-16323. [7] Preparation of Anion Exchange Membrane by Incorporating IRMOF-3 In Quaternized Chitosan, 2020, Polymer Bulletin.

(1)个人参与沈阳化工新材料有限公司揭榜挂帅一项
(2) 锂离子电池焦磷酸盐类正极材料的嵌锂机制与储锂性能研究”, 辽宁省科技厅自然 科学面上项目(基金号:2019MS164)。
(3) “限域石墨烯负载过渡金属氧化物量子点的固硫机制与储锂性能研究”，辽宁省教 育厅科学技术研究项目(基金号:LJ2020JCL034)。
(4) 硬炭负极材料锂离子低温扩散机制及其制备研究，国家自然科学基金项目(基金号: 21808095)。