070304-物理化学

催化计算模拟

2013-09--2017-08   荷兰埃因霍芬理工大学   博士
2010-09--2013-06   兰州大学   硕士
2006-09--2010-06   兰州大学   本科

   

2020-11~现在, 中国科学院福建物质结构研究所, 副研究员
2018-09~2020-10,日本北海道大学, 博士后
2017-09~2018-08,荷兰代尔夫特理工大学, 博士后

   

[1] Niu, Jing, Miao, YuTing, Wang, Wei David, Ruan, MengTong, Wang, ZhiPeng, Xue, HuaDong, Yu, SiMin, Liu, Chong, Wu, JianFeng, Wang, Wei. Observation of reactive intermediates in the initial stage during ethene conversion over acidic zeolites. Catalysis Science & Technology[J]. 2023, http://dx.doi.org/10.1039/d3cy00709j.
[2] Liu, Chong, Yasumura, Shunsaku, Toyao, Takashi, Maeno, Zen, Shimizu, Kenichi. Mechanism of Standard NH3-SCR over Cu-CHA via NO+ and HONO Intermediates. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2022, 126(28): 11594-11601, http://dx.doi.org/10.1021/acs.jpcc.2c03432.
[3] Yasumura, Shunsaku, Liu, Chong, Toyao, Takashi, Maeno, Zen, Shimizu, Kenichi. Lean NOx Capture and Reduction by NH3 via NO+ Intermediates over H-CHA at Room Temperature. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2021, 125(3): 1913-1922, http://dx.doi.org/10.1021/acs.jpcc.0c10913.
[4] Liu, Chong, Malta, Grazia, Kubota, Hiroe, Kon, Kenichi, Toyao, Takashi, Maeno, Zen, Shimizu, Kenichi. In Situ/Operando IR and Theoretical Studies on the Mechanism of NH3-SCR of NO/NO2 over H-CHA Zeolites. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2021, 125(25): 13889-13899, http://dx.doi.org/10.1021/acs.jpcc.1c03431.
[5] Liu, Chong, Malta, Grazia, Kubota, Hiroe, Toyao, Takashi, Maeno, Zen, Shimizu, Kenichi. Mechanism of NH3-Selective Catalytic Reduction (SCR) of NO/NO2 (Fast SCR) over Cu-CHA Zeolites Studied by In Situ/Operando Infrared Spectroscopy and Density Functional Theory. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2021, 125(40): 21975-21987, http://dx.doi.org/10.1021/acs.jpcc.1c06651.
[6] Liu, Chong, Kubota, Hiroe, Amada, Takehiro, Toyao, Takashi, Maeno, Zen, Ogura, Masaru, Nakazawa, Naoto, Inagaki, Satoshi, Kubota, Yoshihiro, Shimizu, Kenichi. Selective catalytic reduction of NO over Cu-AFX zeolites: mechanistic insights from in situ/operando spectroscopic and DFT studies. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2021, 11(13): 4459-4470, http://dx.doi.org/10.1039/d1cy00282a.
[7] Liu, Chong, Kubota, Hiroe, Amada, Takehiro, Kon, Kenichi, Toyao, Takashi, Maeno, Zen, Ueda, Kakuya, Ohyama, Junya, Satsuma, Atsushi, Tanigawa, Takuya, Tsunoji, Nao, Sano, Tsuneji, Shimizu, Kenichi. In Situ Spectroscopic Studies on the Redox Cycle of NH3-SCR over Cu-CHA Zeolites. CHEMCATCHEM[J]. 2020, 12(11): 3050-3059, https://www.webofscience.com/wos/woscc/full-record/WOS:000523363800001.
[8] Liu, Chong, Kubota, Hiroe, Toyao, Takashi, Maeno, Zen, Shimizu, Kenichi. Mechanistic insights into the oxidation of copper(i) species during NH3-SCR over Cu-CHA zeolites: a DFT study. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2020, 10(11): 3586-3593, https://www.webofscience.com/wos/woscc/full-record/WOS:000540915300006.
[9] Kubota, Hiroe, Liu, Chong, Toyao, Takashi, Maeno, Zen, Ogura, Masaru, Nakazawa, Naoto, Inagaki, Satoshi, Kubota, Yoshihiro, Shimizu, Kenichi. Formation and Reactions of NH4NO3 during Transient and Steady-State NH3-SCR of NOx, over H-AFX Zeolites: Spectroscopic and Theoretical Studies. ACS CATALYSIS[J]. 2020, 10(3): 2334-2344, https://www.webofscience.com/wos/woscc/full-record/WOS:000513099200067.
[10] Liu, Chong, Li, Yuxin, Takao, Motoshi, Toyao, Takashi, Maeno, Zen, Kamachi, Takashi, Hinuma, Yoyo, Takigawa, Ichigaku, Shimizu, Kenichi. Frontier Molecular Orbital Based Analysis of Solid-Adsorbate Interactions over Group 13 Metal Oxide Surfaces. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2020, 124(28): 15355-15365, http://dx.doi.org/10.1021/acs.jpcc.0c04480.
[11] Zhang, Yong, Luo, Liang, Ge, Jin, Yan, SuQiong, Peng, YanXin, Liu, YaRu, Liu, JinXiang, Liu, Chong, Ma, Tianqiong, Luo, HaiQing. "On Water" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles. JOURNAL OF ORGANIC CHEMISTRY[J]. 2019, 84(7): 4000-4008, https://www.webofscience.com/wos/woscc/full-record/WOS:000464250800024.
[12] Liu, Chong, Li, Guanna, Pidko, Evgeny A. Property-Activity Relations for Methane Activation by Dual-Metal Cu-Oxo Trimers in ZSM-5 Zeolite. SMALL METHODS[J]. 2018, 2(12): https://www.webofscience.com/wos/woscc/full-record/WOS:000452615800012.
[13] Liu, Chong, Pidko, Evgeny A, Hensen, Emiel J M. Origin of enhanced Bronsted acidity of NiF-modified synthetic mica-montmorillonite clay. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2018, 8(1): 244-251, https://www.webofscience.com/wos/woscc/full-record/WOS:000419051200018.
[14] Liu, Chong, van Putten, Robbert, Kulyaev, Pavel O, Filonenko, Georgy A, Pidko, Evgeny A. Computational insights into the catalytic role of the base promoters in ester hydrogenation with homogeneous non-pincer-based Mn-P,N catalyst. JOURNAL OF CATALYSIS[J]. 2018, 363: 136-143, http://dx.doi.org/10.1016/j.jcat.2018.04.018.
[15] Liu, Chong, van Santen, Rutger A, Poursaeidesfahani, Ali, Vlugt, Thijs J H, Pidko, Evgeny A, Hensen, Emiel J M. Hydride Transfer versus Deprotonation Kinetics in the Isobutane-Propene Alkylation Reaction: A Computational Study. ACS CATALYSIS[J]. 2017, 7(12): 8613-8627, https://www.webofscience.com/wos/woscc/full-record/WOS:000417230500070.
[16] Liu, Chong, Tranca, Ionut, van Santen, Rutger A, Hensen, Emiel J M, Pidko, Evgeny A. Scaling Relations for Acidity and Reactivity of Zeolites. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2017, 121(42): 23520-23530, https://www.webofscience.com/wos/woscc/full-record/WOS:000414114800031.
[17] Liu, Chong, Li, Guanna, Hensen, Emiel J M, Pidko, Evgeny A. Relationship between acidity and catalytic reactivity of faujasite zeolite: A periodic DFT study. JOURNAL OF CATALYSIS[J]. 2016, 344: 570-577, http://dx.doi.org/10.1016/j.jcat.2016.10.027.
[18] Liu, Chong, Li, Guanna, Hensen, Emie J M, Pidko, Evgeny A. Nature and Catalytic Role of Extraframework Aluminum in Faujasite Zeolite: A Theoretical Perspective. ACS CATALYSIS[J]. 2015, 5(11): 7024-7033, http://dx.doi.org/10.1021/acscatal.5b02268.

   

（ 1 ） 理论计算研究NH3-SCR分子筛催化剂中Brønsted酸性位的作用, 负责人, 国家任务, 2022-01--2024-12

（1）分子筛催化剂酸性和反应性的理论研究    中国化学会第 32 届学术年会    2021-04-23