论文著作：
1. Superalkali-alkaline earthide ion pairs of d+(AM-HMHC)-AM’d+ (AM = Li, Na and K; AM0 = Be,Mg and Ca) possessing large NLO responses andexcellent electronic stabilities and alkalidecharacteristics: a DFT study. Physical Chemistry Chemical Physics. 2024, 26: 4702-4715.
2. Long-range charge transfer driven by external electric field in alkalides M-LCaL-M (M = Li or Na, L = All-cis 1,2,3,4,5,6-Hexafluorocyclohexane): facially polarized janus-type second order nonlinear molecular optical switches. The Journal of Physical Chemistry C, 2019, 123(38): 23610-23619.
3. Theoretical insights into single-pole quadruple-throw (SP4T) inorganic nonlinear optics molecular switch of Na(HCN)3Na: from superalkali to superalkalides. Journal of Materials Chemistry C, 2022, 10: 16789-16802
黄俭根
江西省
研究领域：
精细化工
研究方向：
1.光电磁功能分子材料的理论设计与性质研究
2.异质结界面行为及光催化VOCs降解的理论研究
3.计算化学与机器学习研究
所在单位：
井冈山大学
