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任 君
2014-05-05 10:51   审核人:   (点击: )

  

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 StudioVASP等计算软件), 应用密度泛函理论研究模型催化剂α-Mo2Cγ-Mo2NMoPNi2P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, 249172-182.

(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 B2N22 and Monocyclic BnN2nm n=36,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 surfacea 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)(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, HCNNi(111),Ni(100)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.

 

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