基本信息
田子奇男博导中国科学院宁波材料技术与工程研究所
电子邮件： tianziqi@nimte.ac.cn
通信地址： 浙江省宁波市镇海区中官西路1219号
邮政编码： 315201

研究领域理论与计算化学
材料模拟与设计


教育背景2009-09--2014-06南京大学理学博士
2005-09--2009-06南京大学理学学士


出版信息
发表论文（1）Intrinsic defects in biomass-derived carbons facilitate electroreduction of CO2,Nano Research,2020-02,通讯作者
（2）Regulating the Electronic Structure of CoP Nanosheets by O Incorporation for High‐Efficiency Electrochemical Overall Water Splitting,Advanced Functional Materials,2019-12,通讯作者
（3）Theoretical screening of single transition metal atoms embedded in MXene defects as superior electrocatalyst of nitrogen reduction reaction,Small Methods,2019-11,通讯作者
（4）Ultrafine Defective RuO2 Electrocatayst Integrated on Carbon Cloth for Robust Water Oxidation in Acidic Media,Advanced Energy Materials,2019-09,通讯作者
（5）Theoretical Investigation on the Single Transition-Metal Atom-Decorated Defective MoS2 for Electrocatalytic Ammonia Synthesis,ACS Applied Materials & Interfaces,2019-09,通讯作者
（6）Transitional Metal Catalytic Pyrite Cathode Enables Ultrastable Four-Electron-Based All-Solid-State Lithium Batteries,ACS Nano,2019-08,通讯作者
（7）Rhodium-Catalyzed Expeditious Synthesis of Indenes from Propargyl Alcohols and Organoboronic Acids by Selective 1, 4-Rhodium Migration over β-Oxygen Elimination,ACS Catalysis,2019-07,通讯作者
（8）Fabricating Single‐Atom Catalysts from Chelating Metal in Open Frameworks,Advanced Materials,2019-05,通讯作者
（9）Confined Ionic Liquid in an Ionic Porous Aromatic Framework for Gas Separation,ACS Applied Polymer Materials,2019-01,第1作者
（10）Chromium-ruthenium oxide solid solution electrocatalyst for highly efficient oxygen evolution reaction in acidic media,Nature communications,2019-01,第1作者
（11）Enhanced removal of trace antibiotics from turbid water in the coexistence of natural organic matters using phenylalanine-modified-chitosan flocculants,Chemical Engineering Journal,2018,第3作者
（12）Assembling Ultra-Small Copper-doped Ruthenium Oxide Nanocrystals into Hollow Porous Polyhedra: Highly Robust Electrocatalysts for Oxygen Evolution in Acidic Media,Advanced Materials,2018,通讯作者
（13）Recent Progress in the Theoretical Investigation of Electrocatalytic Reduction of CO2,Advanced Theory and Simulations,2018,第1作者
（14）Optimal Size of a Cylindrical Pore for Post-Combustion CO2 Capture,The Journal of Physical Chemistry C,2017,第2作者
（15）Identify the Removable Substructure in Carbon Activation,Chemistry of Materials,2017,第3作者
（16）Highly Efficient Carbon Monoxide Capture by Carbanion‐Functionalized Ionic Liquids through C‐Site Interactions,Angewandte Chemie,2017,第3作者
（17）Design of Calix-Based Cages for CO2 Capture,Industrial & Engineering Chemistry Research,2017,第2作者
（18）Ion-Gated Gas Separation through Porous Graphene,Nano letters,2017,第1作者
（19）Multi‐Molar Absorption of CO2 by the Activation of Carboxylate Groups in Amino Acid Ionic Liquids,Angewandte Chemie,2016,第4作者
（20）The N–B interaction through a water bridge: understanding the chemoselectivity of a fluorescent protein based probe for peroxynitrite,Journal of the American Chemical Society,2016,第2作者
（21）Site partition: turning one site into two for adsorbing CO2,The journal of physical chemistry letters,2016,第1作者
（22）What can molecular simulation do for global warming?,Wiley Interdisciplinary Reviews: Computational Molecular Science,2016,第1作者
（23）Stability and core-level signature of nitrogen dopants in carbonaceous materials,Chemistry of Materials,2015,第1作者
（24）Expanded porphyrins as two-dimensional porous membranes for CO2 separation,ACS applied materials & interfaces,2015,第1作者
（25）Ab initio Screening of CO2-philic Groups,The Journal of Physical Chemistry A,2015,第1作者
（26）Dynamic simulations of stimuli-responsive switching of azobenzene derivatives in self-assembled monolayers: reactive rotation potential and switching functions,Molecular Simulation,2015,第1作者

发表著作（1）Molecular Simulation of Porous Graphene,CRC Press,2019-11,第1作者
（2）Ultrathin Membranes for Gas Separation,John Wiley & Sons, Ltd,2020-02,第1作者


科研活动
科研项目（ 1 ） 中国科学院“****C类青年俊才项目”, 主持,部委级,2018-01--2019-12
（ 2 ） 中国科学院宁波材料技术与工程研究所“团队人才”人才计划项目, 主持,市地级,2017-10--2021-10
（ 3 ） 用于气体分离的多孔骨架-流体分离介质复合膜的理论设计与模拟, 主持,国家级,2019-01--2021-12
（ 4 ） 材料高通量计算/实验平台数据自动汇交技术, 参与,国家级,2018-07--2022-06
（ 5 ） 气体高效分离及电催化转化过程的理论方法开发与其在材料设计中的应用, 主持,市地级,2018-01--2019-12

参与会议（1）用于气体分离的纳米微孔超薄膜的理论设计与模拟中国化学会第31届学术年会2018-05-08


指导学生