2020年：

[1]    Yan Wang, Yao Nian, Akash N. Biswas, Wei Li, You Han* and Jingguang G. Chen*. Challenges and Opportunities in Utilizing MXenes of Carbides and Nitrides as Electrocatalysts, Advanced Energy Materials. 2020, 2002967(1-17) DOI: 10.1002/aenm.202002967

[2]    Yao Nian, Zejian Dong, Shuangbao Wang, Yan Wang, You Han*, Chongmin Wang*, and Langli Luo*. Atomic-Scale Dynamic Interaction of H₂O Molecules with Cu Surface. Physical Review Letter, 2020, 125: 156101(1-5)

[3]    Langli Luo*, Yao Nian, Shuangbao Wang, Zejian Dong, Yang He, You Han*, and Chongmin Wang*, Real time atomic-scale visualization of Cu surface reversible activation in CO oxidation reaction. Angewandte Chemie-International Edition, 2020, 59: 2505 – 2509.

[4]    Yubing Hu, Yan Wang, Yulian Wang, Wei Li, Jinli Zhang and You Han*, High performance of supported Cu-based catalysts modulated via phosphamide coordination in acetylene hydrochlorination. Applied Catalysis A, General, 2020, 591: 117408(1-10).

[5]    You Han, Hongyu Zhang, Yu Li, et al. Ruthenium catalyst coordinated with [N+4444][PF6 ] ionic liquid for acetylene hydrochlorination. Catalysis Today, 2020, 355: 205-213.

[6]    You Han, Yulian Wang, Tengzhou Ma, Wei Li, Jinli Zhang* and Minhua Zhang*, Mechanistic understanding of Cu-based bimetallic catalysts. Frontiers of Chemical Science and Engineering, 2020, 14: 689–748.

[7]    You Han, Yulian Wang, Wan Wang, Yubing Hu, Yao Nian, Wei Li and Jinli Zhang*. Pyrrolidone ligand improved Cu‐based catalysts with high performance for acetylene hydrochlorination. Applied Organometallic Chemistry. 2020, e6066. https://doi.org/10.1002/aoc.6066.

[8]    Ze Yan, Banu Örmeci*, You Han* and Jinli Zhang, Supercritical water oxidation for treatment of wastewater sludge and recalcitrant organic contaminants. Environmental Technology & Innovation, 2020, 18: 100728(1-11).

[9]    Cong Wang, Shaoyi Jia, Yongchao Zhang, Yao Nian, Yan Wang, You Han, et al, Catalytic reactivity of Co₃O₄ with different facets in the hydrogen abstraction of phenol by persulfate. Applied Catalysis B: Environmental, 2020, 270: 118819(1-12).

[10] Wenbo Zhu, Hao Gong, You Han, Minhua Zhang,* and Adri C. T. van Duin*, Development of a Reactive Force Field for Simulations on the Catalytic Conversion of C/H/O Molecules on Cu-Metal and Cu-Oxide Surfaces and Application to Cu/CuO-Based Chemical Looping. Journal of Physical Chemistry C, 2020, 124: 12512−12520.

[11] Mao Peng, Chenliang Ye, You Han, Ji-jun Zou, Wei Li and Jinli Zhang*,The effect of chlorine vacancy in CuCl₂ (0 0 1) catalyst on the mechanism of SiCl₄ dissociation into SiHCl₃: A DFT study. Applied Surface Science, 2020, 515: 146100(1-11).

 

2019年：

[1]    Shuang Mei，Junjie Gu，Tengzhou Ma，Xiaoyan Li，Yubing Hu，Wei Li，Jinli Zhang，You Han*，N-doped activated carbon from used dyeing wastewater adsorbent as a metal-free catalyst for acetylene hydrochlorination. Chemical Engineering Journal, 2019, 371: 118-129.

[2]    You Han, Fang Chen, Tengzhou Ma, et al. Size Effect of a Ni Nanocatalyst on Supercritical Water Gasification of Lignin by Reactive Molecular Dynamics Simulations. Industrial & Engineering Chemistry Research, 2019, 58: 23014−23024.

[3]    You Han, Tengzhou. Ma, Fang Chen, Wei Li and Jinli Zhang. Synergistic mechanism of Ni catalyst and supercritical water during refractory organic wastewater treatment. Industrial & Engineering Chemistry Research, 2019, 58: 1535−1547.

[4]    You Han, Tengzhou Ma, Fang Chen, et al. Supercritical water gasification of naphthalene over iron oxide catalyst: A ReaxFF molecular dynamics study. International Journal of Hydrogen Energy, 2019, 44: 30386-30498.

[5]    Yan Wang, Yao Nian, Jinli Zhang, Wei Li and You Han*, MOMTPPC improved Cu-based heterogeneous catalyst with high efficiency for acetylene hydrochlorination. Molecular Catalysis, 2019, 479: 110612(1-11).

[6]    Yao Nian, Jinli Zhang, Xiaoyan Li, Yan Wang, Wei Li, Pewee Datoo Kolubah and You Han *. Molecular design of ionic liquids as novel nonmetallic catalysts used in acetylene hydrochlorination reaction. Physical Chemistry Chemical Physics, 2019, 21: 7635--7644. 

[7]    Xiaoyan Li，Yao Nian，shanshan shang，Haiyang Zhang，Jinli Zhang，You Han*，Wei Li*，Novel nonmetal catalyst of supported tetraphenylphosphonium bromide for acetylene hydrochlorination. Catalysis Science & Technology, 2019, 9: 188-198.

[8]    Ting Zou, You Han, Xinxue Li, Jinli Zhang and Yan Fu*. Unexpected catalytic activity of Pd(II)-coordinated nucleotides in hydrogenation reduction. Colloids and Surface A: Physicochemical and Engineering Aspects, 2019, 560: 344-351.

[9]    Songtao Long, Fang Chen, Fei Ding*, You Han, Xingjiang Liu and Qiang Xu*,Study on Crystal Growth Kinetics and Preferred Orientation for LiF Crystal in Dimethyl Sulfoxide/1,3-Dioxolane-based Electrolyte. Journal of Physical Chemistry C, 2019, 123(46): 28048–28057.

2018年及以前：

[1]    Tengzhou Ma, Tingting Hu, Dandan Jiang, Jinli Zhang, Wei Li, You Han* and Banu Ormeci*. Treatment of penicillin with supercritical water oxidation Experimental study of combined ReaxFF molecular dynamics. Korean Journal of Chemical Engineering, 2018, 35(4): 900-908.

[2]    Xiaoyan Li, Jinli Zhang, You Han, Mingyuan Zhu, Shanshan Shang and Wei Li*. MOF-derived various morphologies of N-doped carbon composites for acetylene hydrochlorination. Journal of Materials Science, 2018, 53(7): 4913-4926.

[3]    Shanshan Shang, Wei Zhao, Yan Wang, Xiaoyan Li, Jinli Zhang, You Han* and Wei Li*. Highly efficient Ru@IL/AC to substitute mercuric catalyst for acetylene hydrochlorination. ACS Catalysis, 2017, 7: 3510−3520.

[4]    Yu Li, Yanzhao Dong, Wei Li, You Han* and Jinli Zhang* Improvement of imidazolium-based ionic liquids on the activity of ruthenium catalyst for acetylene hydrochlorination. Molecular Catalysis, 2017, 443: 220–227.

[5]    Dandan Jiang, Yan Wang, Ming Zhang, Jinli Zhang, Wei Li and You Han*. H₂ and CO production through coking wastewater in supercritical water condition: ReaxFF reactive molecular dynamics simulation. International Journal of Hydrogen Energy, 2017, 42(15): 9667-9678.

[6]    Junjie Gu, Yumiao Gao, Jinli Zhang, Wei Li, Yanzhao Dong and You Han*. Hydrochlorination of acetylene catalyzed by an activated carbon-supported ammonium hexachlororuthenate complex. Catalysts, 2017, 7: 17(1-13).

[7]     Jinli Zhang, Kaige Gao, Suli Wang, Wei Li and You Han*. Performance of bimetallic PdRu catalysts supported on gamma alumina for 2-ethylanthraquinone hydrogenation. RSC Advances, 2017, 7: 6447–6456.

[8]     Hongyun Qin, Qin Xu, Wei Li, Xiuhu Dang, You Han, Kailiang Lei, Litao Zhou and Jinli Zhang*. Effect of Stator Geometry on the Emulsification and Extraction in the Inline Single-Row Blade-Screen High Shear Mixer. Industrial & Engineering Chemistry Research, 2017, 56(33)：9376–9388.

[9]     Shudan Zheng, You Han, Jinli Zhang and Wei Li*. Determination and correlation of solubility of linezolid form II in different pure and binary solvents. Fluid Phase Equilibria, 2017, 432: 18–27.

[10]  You Han, Dandan Jiang, Jinli Zhang* Wei Li, Zhongxue Gan and Junjie Gu. The development, application and challenges of ReaxFF reactive force field used in molecular simulations. Frontiers of Chemical Science and Engineering, 2016, 10(1): 16-38.

[11]  Nan Meng, Dandan Jiang, Yang Liu, Zhiyuan Gao, Yaqin Cao, Jinli Zhang, Junjie Gu and You Han*. Sulfur tansformation in coal during supercritical water gasification, Fuel, 2016, 186: 394-404.

[12]  Junjie Gu, Suli Wang, Zhiyuan He, You Han and Jinli Zhang*，Direct synthesis of hydrogen peroxide from hydrogen and oxygen over activated-carbon-supported Pd-Ag alloy catalysts. Catalysis Science & Technology, 2016, 6: 809-817.

[13]  Jinli Zhang, Jintao Gu, You Han^*, Wei Li, Zhongxue Gan and Junjie Gu. Supercritical water oxidation VS supercritical water gasification: Which process is better for explosive wastewater treatment? Industrial & Engineering Chemistry Research, 2015, 54: 1251–1260.

[14]  Jinli Zhang, Jintao Gu, You Han^*, Wei Li, Zhongxue Gan and Junjie Gu. Analysis of degradation mechanism of disperse orange 25 in supercritical water oxidation using molecular dynamic simulations based on the reactive force field. Journal of Molecular Modeling, 2015, 21: 54-67.

[15]  You Han, Mengxia Sun, Wei Li and Jinli Zhang. Influence of chlorine coordination number on the catalytic mechanism of ruthenium chloride catalysts in the acetylene hydrochlorination reaction: A DFT study. Physical Chemistry Chemical Physics, 2015, 17: 7720-7730.

[16]  You Han, Zhiyuan He, Suli Wang, Wei Li and Jinli Zhang. Performance of facet-controlled Pd nanocrystals in 2 2-ethylanthraquinone hydrogenation. Catalysis Science & Technology., 2015, 5: 2630-2639. 

[17]  You Han, Zhiyuan He, Yongchuan Guan, Wei Li and Jinli Zhang. High-performance of PdAu/Al₂O₃ catalyst with special structural and electronic properties in the 2-ethylanthraquinone hydrogenation reaction. Acta Physico-Chimica Sinica, 2015, 31: 729-737.

[18]  Jinli Zhang, Yujia Wu, Anyuan Liu, Wei Li and You Han*. Mechanistic insight into the selective crystallization of the metastable polymorph of tolbutamide in ethanol-water solution. RSC Advances, 2014, 4: 21599-21607.

[19]  Junjie Gu, Qian Du, You Han et al., Nitrogen-doped carbon supports with terminated hydrogen and their effects on active gold species: a density functional study. Physical Chemistry Chemical Physics, 2014, 16: 25498-25507.

[20]  Jinli  Zhang,  Xian Wang, Yan Fu, You Han, Jingyao Cheng, Yanqing Zhang and Wei Li*. Highly active subnano palladium clusters embeded in I-motif DNA. Langmuir, 2013, 29: 14345-14350.

[21]  Haiyang Zhang, Bin Dai, Xugen Wang, Wei Li, You Han, Junjie Gu and Jinli Zhang, Non-mercury catalytic acetylene hydrochlorination over bimetallic Au-Co(III)/SAC catalysts for vinyl chloride monomer production. Green Chemistry, 2013, 15: 829-836.

[22]  Jinli Zhang, Xiaoxia Weng, You Han^*, Wei Li, Jingyao Cheng, Zhongxue Gan and Junjie Gu. The effect of supercritical water on coal pyrolysis and hydrogen production: A combined ReaxFF and DFT study. Fuel, 2013, 108: 682-690.

[23]  Jinli Zhang, Xiaoxia Weng, You Han^*, Wei Li, Zhongxue Gan and Junjie Gu. Effect of supercritical water on the stability and activity of alkaline carbonate catalysts in coal gasification, Journal of Energy Chemistry, 2013, 22: 459-467.

[24]  You Han, Ming Zhang, Wei Li and Jinli Zhang. Effect of TiO₂ support on the structural and electronic properties of Pd_mAg_n clusters: A first-principles study. Physical Chemistry Chemical Physics, 2012, 14: 8683–8692.

[25]  Jinli Zhang, Zhenghua He, Wei Li and You Han*. Deactivation mechanism of AuCl₃ catalyst in acetylene hydrochlorination reaction: A DFT study. RSC Advances, 2012, 2: 4814–4821.

[26]  Jiangjiexing Wu, Yan Fu, Zhenghua He, You Han, Lin Zheng, Jinli Zhang and Wei Li. Growth mechanisms of fluorescent silver clusters regulated by polymorphic DNA templates: A DFT study. Journal of Physical Chemistry B, 2012, 116: 1655−1665.

[27]  Jinli Zhang, Zhenghua He, You Han* Wei Li, Jiangjiexing Wu, Zhongxue Gan and Junjie Gu. Nucleation and growth of Na₂CO₃ clusters in supercritical water through molecular dynamics simulation. Acta Physico-Chimica Sinica, 2012, 28:1691-1700.

[28]  Chenhong Xu, You Han* and Mingyang Chi. Cu₂O-based photocatalysis. Progress in Chemistry, 2010, 22: 2290-2297.

[29]  You Han, Chang-jun Liu and Qingfeng Ge. Effect of Pt clusters on methanol adsorption and dissociation over perfect and defective anatase TiO₂(101) surface. Journal of Physical Chemistry C, 2009, 113: 20674–20682.

[30]  Jianjun Liu, You Han and Qingfeng Ge. Effect of doped transition metal on reversible hydrogen release/uptake from NaAlH₄. Chemistry A European Journal, 2009, 15: 1685–1695.

[31]  Jinli Zhang, Ming Zhang, You Han, Wei Li, Xiangkun Meng and Baoning Zong. Nucleation and growth of palladium clusters on anatase TiO₂(101) surface: A first principles study, Journal of Physical Chemistry C, 2008, 112: 19506-19515.

[32]  You Han, Chang-jun Liu and Qingfeng Ge. Effect of surface oxygen vacancy on Pt cluster adsorption and growth on the defective anatase TiO₂(101) surface. Journal of Physical Chemistry C, 2007, 111: 16397-16404.

[33]  Yunxiang Pan, You Han and Chang-jun Liu. Pathways for steam reforming of dimethyl ether under cold plasma conditions: A DFT study. Fuel, 2007, 86: 2300-2307.

[34]  You Han, Chang-jun Liu and Qingfeng Ge. Interaction of Pt clusters with TiO₂ anatase (101) surface: A first principles study. Journal of Physical Chemistry B, 2006, 110：7463-7472.

[35]  You Han, Jian-guo Wang, Dang-guo Cheng and Chang-jun Liu. Density functional Theory study of methanol conversion via cold plasma. Industrial & Engineering Chemistry Research, 2006, 45：3460-3467.