中北大学化工与环境学院究生导师介绍：任君

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任君，博士，副教授，2007年毕业于中国科学院山西煤炭化学研究所，获物理化学(含化学物理)博士学位。之后到德国Chemnitz工业大学做高级访问学者，从事钛硅分子筛催化反应相关研究。回国后，作为主要参加者参与了国家自然科学基金项目(基金号：20473111,20590360,20573127)；参与完成中科院“百人计划”和中国科学院山西煤炭化学研究所创新基金项目；参与了国家863计划项目“能源领域中的关键问题”的研究工作。

研究方向包括：

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。

近几年发表主要论文：

 (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.

(21)杨涛，温晓东，任君，李永旺，王建国，霍春芳,Fe3O4(111),(110)和(001)表面结构的密度泛函理论研究(英文),燃料化学学报,2010,1:P121-128.

(22)辛振东，李巧玲，任君，贾秀梅,HCN在Ni(111),Ni(100)和Ni(110)面吸附的密度泛函理论研究,中北大学学报(自然科学版),2012,6:P709-715.

(23)韩新艳，朱佳平，王勇，曹端林，任君，王建龙,钝感材料PATO及其衍生物热稳定性质研究,中北大学学报(自然科学版),2013,1:P45-51.