研究领域
二氧化碳催化转化反应的理论研究及高效催化剂的设计。
二氧化碳是导致全球气候变暖的主要温室气体，其过多的排放严重影响着人类的生存环境。另一方面，二氧化碳也可以作为无毒，可再生的碳资源，将二氧化碳转化为对人类有用的燃料分子或精细化学品是目前国际上研究的热点问题。
近期论文
查看导师新发文章
（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）
F. Huang, G. Lu, L. Zhao, H. Li, Z.-X. Wang*, “The catalytic role of N-heterocyclic carbene in a metal-free conversion of carbon dioxide intomethanol: a computational mechanism study”, J. Am. Chem. Soc., 132, 12388-12396, 2010.
L.Zhao, F. Huang, G. Lu, Z.-X. Wang*, P. v. R.Schleyer*, “Why the mechanisms of digermyne and distannyne reactions with H2differ so greatly”, J. Am. Chem. Soc., 134, 8856-8868,2012.
F. Huang, C.-G. Zhang, J.-L.Jiang, Z.-X. Wang*, H.-R. Guan, “How Does the Nickel Pincer Complex Catalyzethe Conversion of CO2 to A Methanol Derivative? A ComputationalMechanistic Study”, Inorg. Chem.,50(8), 3816-3825, 2011.
M. Wen, F. Huang, G. Lu, and Z.-X. Wang*, “Density Functional Theory MechanisticStudy of the Reduction of CO2 to CH4 Catalyzedby an Ammonium Hydridoborate Ion Pair: CO2 Activation viaFormation of a Formic Acid Entity”, Inorg. Chem., 52 (20), 12098–12107, 2013.
F. Huang, J. Jiang, W. Ming, Z.-X.Wang*, “Assessing the Performance of Commonly Used DFT Functionals in Studyingthe Chemistry of Frustrated Lewis Pairs”, J.Theor. Comput. Chem., 13, 1350074-1350089,2014.
W. Gong, F.Huang, C. Sun, X. Zhao, D. Chen*, “Mechanism and Diastereoselectivity ofthe Prebiotic Synthesis of Deoxyribonucleotide Precursors C5-thiazoline:A DFT study” Comput. Theor. Chem.,1033, 1-5, 2014.
X. Gao, F.Huang, J. Feng, X. Chen, H. Zhang, Z.-X. Wang, Q. Wu and D. Zhu*, “Engineeringthe meso-Diaminopimelate Dehydrogenase from Symbiobacterium thermophilum by Site Saturation Mutagenesisfor D-Phenylalanine Synthesis”, Appl. Environ. Microbiol., 79(16),5078-5081, 2013.
京公网安备 11010802027423号