本人一直从事固体表面电子结构和反应活性的理论研究,在该领域积累了丰富经验。先后主持并参与了多项国家自然科学基金、福建省自然科学基金,对半导体光催化剂体系表面修饰掺杂开展了系统和深入理论研究,总给了一套研究光催化剂活性的理论指标。目前,已在Phys. Chem. Chem. Phys., J. M ater. Chem. A , RSC Advance 等国内外核心刊物上发表学术论文四十余篇。研究成果曾获省科技进步三等奖(排名第四)。
1 Kaining Ding; Bin Chen; Yulu Li; Yongfan Zhang; Zhongfang Chen. Comparative density functional theory study on the electronic and optical properties of BiMO4 (M = V, Nb, Ta).Journal of Materials Chemistry A. 2014, 2(22): 8294-8303. 2 Kaining Ding; Lili Wen; Mengyue Huang; Yongfan Zhang; Yunpeng Lu; Zhongfang Chen. How does the B,F-monodoping and B/F-codoping affect the photocatalytic water-splitting performance of g-C3N4?Phys Chem Chem Phys. 2016, 18(28): 19217-19226. 3 Kaining Ding; Bin Chen; Zhenxing Fang; Yongfan Zhang; Zhongfang Chen. Why the photocatalytic activity of Mo-doped BiVO4 is enhanced: a comprehensive density functional study.Phys Chem Chem Phys. 2014, 16(26): 13465-13476. 4 Kaining Ding; Lili Wen; Shuping Huang; Yulu Li; Yongfan Zhang; Yunpeng Lu. Electronic properties of red and black phosphorous and their potential application as photocatalysts.RSC Advances. 2016, 6(84): 80872-80884. 5 Yulu Li; Kaining Ding; Beisi Cheng; Yongfan Zhang; Yunpeng Lu. N,F-monodoping and N/F-codoping effects on the electronic structures and optical performances of Zn2GeO4.Phys Chem Chem Phys. 2015, 17(8): 5613-5623. 6 Kaining Ding; Yihua Lin; Mengyue Huang. The enhancement of NO detection by doping strategies on monolayer MoS2.Vacuum. 2016, 130: 146-153. 7 Kaining Ding; Yulu Li; Bin Chen; Yongfan Zhang. Original Investigation of a Novel Photocatalyst Driven by Visible Light: ZnIn2S4.J Phys Soc Jpn. 2014, 83(7): 074301. 8 Kaining Ding; Lili Wen; Lintao Xu; Huadeng Wu; Yiguang Ye; Yongfan Zhang. Predicting the electronic and optical properties of IB metals doped monoclinic BiVO4: First principle calculations. Int J Quantum Chem. 2016, 116(5): 388-395.