姓　　名： 程　俊
地　　址： 厦门大学老化学楼425
邮　　编： 361005
电　　话：
传　　真：

电子邮件： chengjun@xmu.edu.cn
课题组主页： http://chem.xmu.edu.cn/teacher.asp?id=349





教育与科研经历
2013-至今 教授 厦门大学化学化工学院
2013-2015 讲师 英国阿伯丁大学化学系
2010-2013 独立研究人员 英国剑桥大学Emmanuel学院
2008-2010 博士后 英国剑桥大学化学系
2005-2008 博士 英国贝尔法斯特女王大学化学系
2002-2005 硕士 上海交通大学化学化工学院
1998-2002 学士 上海交通大学化学化工学院

研究方向
计算模拟固体表界面的方法发展
基于第一性原理的计算电化学
理论光电催化、非均相催化

获奖情况
英国剑桥大学Emmanuel学院Junior Research Fellowship （2010-2013）

代表性论文
1.Jun Cheng* and J. VandeVondele*, Calculation of electrochemical energy levels in water using the random phase approximation and a double hybrid functional, Phys. Rev. Lett. 2016, 116, 086402.
2.Jun Cheng*, X Liu, J VandeVondele, M Sprik, Reductive Hydrogenation of the Aqueous Rutile TiO 2 (110) Surface, Electrochimica Acta, 2015, 179, 658. (invited article)
3. Jun Cheng*, X. Liu, J. VandeVondele, M. Sulpizi, M. Sprik*, Redox potentials and acidity constants from ab initio molecular dynamics, Acc. Chem. Res., 2014, 47, 3522. (invited perspective),
4. Jun Cheng*, X. Liu, J. A. Kattirtzi, J. VandeVondele, M. Sprik, Aligning electronic and protonic energy levels of proton coupled electron transfer in water oxidation on aqueous TiO2, Angew. Chem. Int. Ed. 2014, 53, 12046. (Frontispiece)
5. Y.-K. Lv, Jun Cheng*, A. Steiner, L. Gan, D. S. Wright*, Dipole-induced Band Gap Reduction in an Inorganic Cage, Angew. Chem. Int. Ed., 2014, 126, 1965.
6. Jun Cheng*, J. VandeVondele, M. Sprik, Identifying trapped electronic holes at the aqueous TiO2 interface, J. Phys. Chem. C, 2014, 118, 5437.
7. Jun Cheng, M. Sprik*, The electric double layer at a rutile TiO2 water interface using density functional theory based molecular dynamics simulation, J. Phys.: Condens. Matter, 2014, 26, 244108.
8. Jun Cheng, M. Sprik*, Alignment of electronic energy levels at electrochemical interfaces, Phys. Chem. Chem. Phys. (Perspective), 2012, 14, 11245-11267.
9. Jun Cheng*, M. Sulpizi, J. VandeVondele, M. Sprik, Hole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110), ChemCatChem, 2012, 4, 636.
10. Jun Cheng*, P. Hu*, Theory of chemical potential kinetics in heterogeneous catalysis, Angew. Chem. Int. Ed., 2011, 50, 7650-7654. (Hot paper)
11. Jun Cheng, M. Sprik*, Aligning electronic energy levels at the TiO2/H2O interface, Phys. Rev. B (Rapid Comm.), 2010, 82, 081406.
12. Jun Cheng, M. Sprik*, Acidity of the aqueous rutile TiO2(110) surface from density functional theory based molecular dynamics, J. Chem. Theory Comput., 2010, 6, 880-889.
13. Jun Cheng, M. Sulpizi, M. Sprik*, Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamics, J. Chem. Phys., 2009, 131, 154504.
14. Jun Cheng, P. Hu*, Utilization of the three-dimensional volcano surface to understand the chemistry of multiphase systems in heterogeneous catalysis, J. Am. Chem. Soc., 2008, 130, 10868-10869. (Highlighted in JACS Select #3)
15. Jun Cheng, X.-Q. Gong, P. Hu*, C. M. Lok, P. Ellis, S. French, A quantitative determination of reaction mechanism from density functional theory calculations: Fischer-Tropsch synthesis on flat and stepped cobalt surfaces, J. Catal., 2008, 254, 285-295.