任君 - 中北大学 - 化工与环境学院

研究领域

1、利用量子化学计算软件包(Material Studio，VASP等计算软件), 应用密度泛函理论研究模型催化剂α-Mo2C、γ-Mo2N、MoP、Ni2P的电子结构及其表面性质，并以CO、噻吩等为吸附模型分子研究表面吸附活性位及吸附行为，从而对其加氢反应机理进行初步研究； 2、从事含能材料的分子设计、模拟计算研究； 3、乙腈催化加氢生产乙胺反应机理研究； 4、碳一化学相关反应机理研究等； 5、甲醇下游产品聚甲氧基二甲醚的工艺技术开发。

近期论文

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(1) Jun Ren, Chun-Fang Huo, Jianguo Wang, Yong-Wang Li, Haijun Jiao. Surface structure and energetics of oxygen and CO adsorption on α-Mo2C(0001). Surface Science, 2005, 596, 212-221. (2) Jun Ren, Chun-Fang Huo, Jianguo Wang, Yong-Wang Li, Haijun Jiao. Density functional theory study into the adsorption of CO2, H and CHx (x = 0-3) as well as C2H4 on α-Mo2C(0001) Surface Science, 2006, 600, 2329-2337. (3) Jun Ren, Chun-Fang Huo, Xiao-dong Wen, Zhi Cao, Jianguo Wang, Yong-Wang Li, Haijun Jiao. Thiophene Adsorption and Activation on MoP(001), γ-Mo2N(100), and Ni2P(001) Surfaces: ab initio Periodic Density Functional Theory Study J. Phys. Chem. B 2006, 110, 22563 - 22569. (4) Jun Ren, Chun-Fang Huo, Xiao-Dong Wen, Zhi Cao, Shuping Yuan, Jianguo Wang, Yongwang Li, Haijun Jiao. Adsorption of NO, NO2, pyridine and pyrrole on α-Mo2C(0001): A DFT Study Surface Science, 2007, 601,1599-1607. (5) Jun Ren, Jian-guo Wang, Zhang-feng Qin, Jun-fen Li, Yong-wang, Li. Density Functional Theory Study into Crystal Chemistry of Nickel Phosphides Journal of Fuel Chemistry and Technology, 2007, 4:p458-464.. (6) Xiao-Dong Wen, Jun Ren, Yong-Wang Li, Jianguo Wang, Haijun Jiao. NO adsorption on triangular Mo28S60 cluster. Chem. Phys. Lett. 2007, 436,209-212. (7) Chun-Fang Huo, Jun Ren, Yong-Wang Li, Jianguo Wang and Haijun Jiao. CO Dissociation on Clean and Hydrogen Pre-covered Fe(111) Surfaces. J. Catal. 2007, 249，172-182. (8) Ren, Fu-de, Jun Ren, Liu, Sheng-nan, Yue, Yuan, Wang, Wen-liang, Chen, Shu-sen, A UB3LYP and UMP2 theoretical investigation on unusual cation-pi interaction between the triplet state HB=BH ((3)Sigma(-)(g) and H+, Li+, Na+, Be2+ or Mg2+ (vol 16, pg 615, 2010) , Journal of Molecular Modeling, 17(5), pp 1223-1226, 2011/5. (9) Xu, Wen-zheng, Ren, Fu-de, Jun Ren, Liu, Sheng-nan, Yue, Yuan, Wang, Wen-liang, Chen, Shu-sen, A UB3LYP and UMP2 theoretical investigation on unusual cation-pi interaction between the triplet state HB=BH (3 Sigma(-)(g)) and H+, Li+, Na+, Be2+ or Mg2+ ,Journal of Molecular Modeling, 16(4), pp 615-627, 2010/4. (10) Ma, Dong-xu, Ren, Fu-de, Hu, Tuo-ping, Jun Ren,Theoretical investigation on the structures and thermodynamic properties of mixed boron-, nitrogen- and oxygen-containing three- and four-membered rings BnNmOHp (n=0-3, m=0-3, p=0-3) ,Journal of Molecular Structure (Theochem), 942(1-3), pp 121-130, 2010/2/28. (11) Liu Sheng-Nan, Cao Duan-Lin, Ren Fu-De, Jun Ren, Theoretical Investigations on the Structures and Properties of the Side-on Complexes B(2)(N(2))(2) and Monocyclic B(n)(N(2))(n)(m) (n=3 similar to 6, m =-1 similar to+2) ,Chinese Journal of Structural Chemistry, 29(10), pp 1459-1466, 2010. (12) Hu, Tuo-ping, Ren, Fu-de, Jun Ren,Theoretical investigation on geometries and aromaticity of mixed boron-, nitrogen- and furanoxo-containing five-membered rings B2N2OHp (p=0-2),Journal of Molecular Structure (Theochem), 909(1-3), pp 13-18, 2009/9/15. (13) Ren, Fu-de, Cao, Duan-lin, Wang, Wen-liang, Jun Ren, Hou, Su-qing, Chen, Shu-sen, A theoretical study on unusual intermolecular T-shaped X-H center dot center dot center dot pi interactions between the singlet state HB=BH and HF, HCl, HCN or H2C2 , Journal of Molecular Modeling, 15(5), pp 515-523, 2009/5. (14) 陈丽珍，张琳，任福德，曹端林，任君, Theoretical Studies on Intermolecular Hydrogen-bond Interactions between Hexamethylenetetramine and Nitric Acid, 结构化学, 2013,1: P7-16. (15) 刘胜楠，曹端林，任福德，任君, Theoretical Investigations on the Structures and Properties of the Side-on Complexes B2（N2）2 and Monocyclic Bn（N2）nm （n=3～6,m=-1～+2）, 结构化学, 2010 ,10: P1459-1466. (16) 韩新艳，任君，曹端林，朱佳平，Acetonitrile （CH3 CN） and methyl isocyanide （CH3 NC） adsorption on Pt （111） surface：a DFT study. 测试科学与仪器(英文版), 2013, 1:97-102. (17) 朱佳平，任君，韩新艳，李永祥，王建龙，曹端林用密度泛函理论研究多硝基吡嗪氮氧化物的结构和爆轰性能, 火炸药学报 , 2010, 6:P47-52 . (18) 仪建红，胡双启，刘胜楠，曹端林，任君, 硝基吡唑类衍生物的结构和爆轰性能的理论研究, 含能材料 ,2010 ,3: P252-256 (19) 杜栓丽，王晶禹，何爽，朱佳平，任君，胡志勇，曹端林可用于乳化炸药的Gemini表面活性剂水溶液聚集形态模拟研究含能材料 2011 ,19(1):p28-32. (20) 杨俊召，任君，贾广信，陶涛，宋法恩, 改性Hβ沸石在甲醇汽油催化改性中的应用和表征, 石油化工, 2011, 2: P146-150 .