煤化工

煤化工反应过程中C1小分子的活化与转化机制以及金属、金属氧化物催化剂的理性设计

1. Li Yuefei; Liu Ye; Zhang Mingkai; Li Linsen; Jiang Zhao; Han Bingying*; Wang Baojun; Li Jiayuan*; Reversible hydrogen acceptor-donor enables relay mechanism for nitrate-to-ammonia electrocatalysis, Angewandte Chemie International Edition, 2024, e202417631

2. Han Bingying; Shi Neng; Dong Mengjie; Liu Ye; Ye Runping; Ling Lixia*; Zhang Riguang; Wang Baojun*; Theoretically predicted innovative palladium stripe doping cobalt(111) surface with excellent catalytic performance for carbon monoxide oxidative coupling to dimethyl oxalate, Chinese Journal of Chemical Engineering, 2024, 73: 235−243

3. Shi Neng; Liu Ye; Han Bingying*; Liu Yurong; Zhang Riguang; Ling Lixia; Niu Pengyu; Jia Litao; Wang Baojun*, Elucidating the action mechanism of different kinds of oxygen species on methane dissociation to generate methyl radical on lanthanum oxide catalyst, Fuel, 2024, 366: 131263

4. Dong Mengjie; Han Bingying*; Ye Runping; Shi Neng; Liu Ye; Zhang Riguang; Ling Lixia; Jia Litao; Wang Baojun*; Boosting the generation of key intermediate methyl radical (CH3•) in OCM reaction on magnesium oxide catalysts by regulating the electronic state of the active site, Molecular Catalysis, 2023, 542: 113125

5. Han Bingying; Dong Mengjie; Zhang Riguang; Ling Lixia*; Fan Maohong; Liu Ping; Wang Baojun*; CO oxidative coupling to dimethyl oxalate over Pd monolayer supported on SiC substrate: Insight into the effects of different exposed terminals, Molecular Catalysis, 2021, 515: 11926

6. Han Bingying; Ling Lixia*; Fan Maohong; Liu Ping; Zhang Riguang; Wang Baojun*; Dimethyl oxalate synthesis via CO oxidation on Pd-doped Ag(111) surface: A theoretic study, Molecular Catalysis, 2020, 484: 110731

7. Han Bingying; Ling Lixia*; Fan Maohong; Liu Ping; Wang Baojun*; Zhang Riguang; A DFT study and microkinetic analysis of CO oxidation to dimethyl oxalate over Pd stripe and Pd single atom-doped Cu(111) surfaces, Applied Surface Science, 2019, 479: 1057−1067.

8. Han Bingying; Lin Hao; Ling Lixia*; Liu Ping; Fan Maohong; Wang Baojun*; Zhang Riguang; A DFT study on dimethyl oxalate synthesis over PdML/Ni(111) and PdML/Co(111) surfaces, Applied Surface Science, 2019, 465: 498−508.

9. Han Bingying; Feng Xue; Ling Lixia*; Fan Maohong; Liu Ping; Zhang Riguang; Wang Baojun*; CO oxidative coupling to dimethyl oxalate over Pd-Me (Me = Cu, Al) catalysts: A combined DFT and kinetic study, Physical Chemistry Chemical Physics, 2018, 20(10): 7317−7332.

1. 国家自然科学青年基金项目，双金属掺杂调控La2O3催化剂高效催化甲烷氧化偶联制C2烃，22408261，30万元，2025.01−2027.12
2. 山西省基础研究计划青年基金项目，甲烷氧化偶联制乙烯高活性高选择性La2O3催化剂的构筑及催化机理研究，202203021212201，5万元，2023.01−2025.12