研究方向

(1) 计算材料化学
  (2) 计算能源化学
  (3) 计算催化化学
 (4) 材料高通量计算、数据挖掘与机器学习

科研项目

(1)   国家自然科学基金面上项目(21873073)，原子/分子层沉积金属-有机框架材料的表面反应与生长机理的理论研究，2019.01-2022.12，66万元，主持
  (2) 国家自然科学基金青年科学基金项目(21703158)，基于配位键自组装的超分子反应器催化机理的理论研究，2018.01-2020.12，21万元，参与
  (3) 浙江省自然科学基金(LY17B030003)，原子层沉积和分子层沉积的表面反应与生长机理的理论研究，2017.01-2019.12，8万元，主持
  (4) 浙江省自然科学基金(LQ15B030001)，基于配位键自组装的分子反应器催化有机反应的理论研究，2015.1-2018.12，5万元，参与
  (5) 中国博士后科学基金(2014M551556)，原子层沉积高介电栅介质材料的理论研究，2014.01-2015.12，5万元，主持
  (6) 浙江省自然科学基金(LY13B030005)，原子层沉积高k 栅介质材料的多尺度模拟研究，2013.01-2015.12，8万元，主持

代表性论文

(1) Lina Xu, Guoyong   Fang*, Junbin Tao, Zihang Ye, Sainan Xu, Zhenyu Li*, Molecular mechanism and solvation   effect of supramolecular catalysis in a synthetic cavitand receptor with an inwardly   directed carboxylic acid for ring-opening cyclization of epoxy alcohols, ACS   Catal., 2018, 8, 11910-11925.
  (2) Guoyong   Fang*, Lina Xu, Yanqiang Cao, Aidong Li, Theoretical design and computational   screening of precursors for atomic layer deposition, Coord. Chem. Rev., 2016,   322, 94-103.
  (3) Guoyong Fang*, Lina Xu, Jing Ma, Aidong Li, Theoretical understanding of   the reaction mechanism of SiO₂ atomic layer deposition, Chem.   Mater., 2016, 28, 1247-1255.
  (4) Lina Xu, Guoyong Fang*, Yanqiang Cao, Aidong Li, Interfacial catalysis in   and initial reaction mechanism of Al₂O₃ films   fabricated by atomic layer deposition using non-hydrolytic sol-gel chemistry,   Phys. Chem. Chem. Phys., 2016, 18, 31223-31229.
  (5) Guo-Yong Fang*, Li-Na Xu, Yan-Qiang Cao, Lai-Guo Wang, Di Wu, Ai-Dong   Li*, Self-Catalysis by Aminosilanes and Strong Surface Oxidation by O₂   Plasma in Plasma-Enhanced Atomic Layer Deposition of High-Quality SiO₂,   Chem. Commun., 2015, 51, 1341-1344.
  (6) Guoyong Fang, Jing Ma*, Rapid Atomic Layer Deposition of Silica   Nanolaminates: Synergistic Catalysis of Lewis/Bronsted Acid Sites and   Interfacial Interactions, Nanoscale, 2013, 5, 11856-11869.
  (7) Tiandi Tang*, Lei Zhang, Wenqian Fu, Yuli Ma, Jin Xu, Jun Jiang, Guoyong Fang,   Feng-Shou Xiao*, Design and Synthesis of Metal Sulfide Catalysts Supported on   Zeolite Nanofiber Bundles with Unprecedented Hydrodesulfurization Activities,   J. Am. Chem. Soc., 2013, 135, 11437-11440.
  (8) Guoyong Fang, Shuang Chen, Aidong Li, Jing Ma*, Surface Pseudorotation in   Lewis-Base-Catalyzed Atomic Layer Deposition of SiO₂: Static   Transition State Search and Born–Oppenheimer Molecular Dynamics Simulation,   J. Phys. Chem. C, 2012, 116, 26436-26448.
  (9) Zhi Yang*, Zhen Yao, Guifa Li, Guoyong Fang, Huagui Nie, Zheng Liu,   Xuemei Zhou, Xi’an Chen, Shaoming Huang*, Sulfur-Doped Graphene as an   Efficient Metal-free Cathode Catalyst for Oxygen Reduction, ACS Nano, 2012, 6,   205-211.
  (10) Wenqian Fu, Lei Zhang, Tiandi Tang*, Qingping Ke, Shun Wang, Jianbo Hu,   Guoyong Fang, Jixue Li, Feng-Shou Xiao*, Extraordinarily High Activity in the   Hydrodesulfurization of 4,6-Dimethyldibenzothiophene over Pd Supported on   Mesoporous Zeolite Y, J. Am. Chem. Soc., 2011, 133, 15346-15349.

书籍章节

(1) 方国勇*，第5章 原子层沉积理论计算与模拟，《原子层沉积技术——原理及其应用》，李爱东编著，科学出版社，2016.
  (2) Guo-Yong Fang*, Li-Na Xu, Ai-Dong Li*, Chapter 4: Theoretical calculation   on mechanism of thermal and plasma-enhanced atomic layer deposition of SiO₂,《Atomic   Layer Deposition (ALD): Fundamentals, Characteristics and Industrial   Applications》, edited by Jeannie Valdez,   Nova Science Publishers, 2015.

联系方式

招生专业：化学、材料科学与工程、材料与化工、资源与环境。

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