戴亚飞

 
 


    南京师范大学
物理科学与技术学院副教授,凝聚态物理专业硕士生导师;博士毕业于美国乔治梅森大学计算科学学院;江苏省青蓝工程优秀青年骨干教师。先后主持过国家自然科学基金三项,在SCI收录的国际期刊发表论文20余篇。主要研究方向为:1)二维纳米材料的设计、二维纳米材料光电学性质的分析、二维纳米材料应用的开发的计算机模拟研究; 2)高分子材料的导电机理、发光机制的理论模拟研究;3)纳米团簇的结构、光电学性质的理论模拟研究。


主持的科研项目(课题)及人才计划项目情况:
1、国家自然科学基金面上项目,非平面石墨烯空穴传输功能和ORR催化功能的理论研究,2017.1-2020.12,直接经费65万元,主持。
2、国家自然科学基金青年项目,导电聚合物吡咯的理论模拟研究,2013/01-2015/1225万元,已结题,主持。
3、国家自然科学基金物理专项基金项目,导电聚合物吡咯的导电机理及导电性能的理论研究, 2012.1-2012.125万元,已结题,主持。
4、江苏省高校自然科学基金项目,对导电聚合物吡咯的理论模拟研究,2010.10-2012.123万元,已结题,主持。
5、中国博士后科学基金(一等资助),氧原子在石墨烯表面扩散与脱附的理论模拟研究 , 2013.10-2015.128万元,已结题,主持。 
代表性研究成果(以下所列均为SCI收录论文,*为通讯作者)(1)Yafei Dai,Zhenyu Li,Jinlong Yang*,Distinct molecule adsorption behaviors on warped nanographene C80H30: A theoretical study,Carbon,2016,100,428-434.
(2)Yafei Dai,Zhenyu Li,Jinlong Yang*,Density functional theory study of the nonlinear optical properties of edge-functionalized nonplanar nanographenes, ChemPhysChem,2015,16,2783-2788.
(3)Yafei Dai,Zhenyu Li,Jinlong Yang*,Density functional theory study of nonlinear optical properties of grossly warped nanographene C80H30, J. Phys. Chem. C, 2014, 118, 3313-3318.
(4)Yafei Dai,Chengwei Wei,Estela Blaisten-Barojas*,Density functional theory study of neutral and oxidized thiophene oligomers, J. Chem. Phys., 2013,139,184905.
(5)Yafei Dai,Zhenyu Li,Jinlong Yang*, Diffusion and desorption of oxygen atoms on graphene, J. Phys.: Condens. Matter, 2013, 25, 405301.  
(6)Yafei Dai,Chengwei Wei, Estela Blaisten-Barojas*, Bipolarons and polaron pairs in oligopyrrole dications, Comput. Theor. Chem.,2012, 993, 7-12.
(7)Yafei Dai, Sugata Chowdhury, Estela Blaisten-Barojas*, Density functional theory study of the structure and energetics of negatively charged pyrrole oligomers, Int. J. Quantum Chem., 2011, 111, 2295-2305.
(8)Yafei Dai, Estela Blaisten-Barojas*, Monte Carlo study of oligopyrroles in condensed phases, J. Chem. Phys.,2010,133, 034905.
(9)Yafei Dai, Estela Blaisten-Barojas*, Energetics, structure and charge distribution of reduced and oxidized n-pyrrrole oligomers: A density functional approach, J. Chem. Phys.2008,129, 164903.
(10)Yafei Dai, Estela Blaisten-Barojas*, Energetics, structure and electron detachment spectra of calcium and zinc neutral and anion clusters: a density functional theory study, J. Phys. Chem. A 2008, 112, 11052-11060.
(11) Genfeng Feng, Wei Liu, Yuxin Peng, Bo Zhao, Wei Huang* andYafei Dai*Cavity partition and functionalization of a [2+3] organic molecular cage by inserting polar P=O bonds, Chem. Commun. 2016, 52, 9267.
(12) Dianrong Han, Chenglin Luo*Yafei Dai* and Xingfeng ZhuA possible formation mechanism of double-walled and multi-walled carbon nanotube: a molecular dynamics study, Mater. Res. Express 2016,3, 095001.
(13)Zhendong Chi, Chenglin Luo*Yafei Dai*Comment on “Electrical-Driven Transport of Endohedral Fullerene Encapsulating a Single Water Molecule”, Phys. Rev. Lett. 2014,113,119601.
(14)Wanjie Xiong, Yafei Dai*, Dynamical Monte Carlo studies on three-dimensional bimodal, J. Stat. Mech.:Theor. Exp., 2012, 05, P05018.
 (15) Lingwen Liao, Shiming Zhou, Yafei Dai, Liren Liu, Chuanhao Yao,Cenfeng  Fu, Jinlong Yang*, Zhikun Wu*, Mono-mercury doping of Au25and the HOMO/LUMO energies evaluation employing differential pulse voltammetry, J. Am. Chem. Soc, 2015,137, 9511-9514.
(16) Dapeng Lu, Haotian Wu, Yafei Dai, Hong Shi, Xiang Shao,Shangfeng Yang, Jinlong Yang, and Pingwu Du*A cycloparaphenylene nanoring with graphenic hexabenzocoronene sidewalls, Chem. Commun.2016, 52, 7164.
(17) Hongwei Chen, Changhong Wang, Yafei Dai, Jun Ge, Wei Lu, Jinlong Yang, Liwei Chen*, In-situ activated polycation as a multifunction additive for Li-S batteries, Nano Energy, 2016, 26,43-49.
 (18) Hongwei Chen, Changhong Wang, Yafei Dai, Shengqiang Qiu, Jinlong Yang, Wei Lu, Liwei Chen*, Rational design of cathode structure for high rate performance Lithium-Sulfur batteries, Nano Lett., 2015,15,5443-5448.
 (19) Xingfeng Zhu*, Enhai Jiang, Yafei Dai, Chenglin Luo, Stability, magnetic, and electronic propertiesof and phases in Co2MnAl Heusler alloy, J. Alloy. Compd., 2015,632, 528-532.
 (20) Haixiang Zheng, Lu Gao, Qingyu Ma*Yafei Dai, Dong Zhang, Pressure distribution based optimization phase-coded acoustical vortices. J. Appl. Phys. 2014,115, 084909.
 (21) Xingfeng Zhu*, Yaxu Wang, Lu Wang, Yafei Dai, Chenglin Luo, Pressure and disorde reffects on the half-metallic character and magnetic properties of the full-Heusleralloy Co2FeSi, J. Phys. Chem. Solids, 2014, 75, 391-396.
 (22) Richard Massaro, Yafei Dai, Estela Blaisten-Barojas*Energetics and vibrational analysis of Methyl Salicylate isomers, J. Phys. Chem. A,2009, 113, 10385-10390.



主讲课程 大学物理、 C语言、 科技英语
研究领域 凝聚态物理、计算物理、物理化学
联系方式 请输入电话     yfdai@njnu.edu.cn