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【1】Bai X. W.,Zhao E. J.,* Li K., Wang Y., Jiao M.G., He F., Sun X. X., Yang J. C., Wu Z. J.,*2016, Theoretical Investigation on the Reaction Pathways of the Oxygen Reduction Reaction on Graphene Codoped with Manganese andPhosphorus as a Potential Nonprecious Metal Catalyst.CHEMCATCHEM,8, 3353-3360.
【2】Bai X. W.,Zhao E. J.,* Li K., Wang Y., Jiao M.G., He F., Sun X. X., Sun H., Wu Z. J.,*2016, Theoretical Investigation on the Reaction Pathways for Oxygen Reduction Reaction on Silicon Doped Graphene as Potential Metal-Free Catalyst.Journal of The Electrochemical Society, 163, F1496-F1502.
【3】Ying C.,*Bai X. W., Du Y.G.,Zhao E. J.,*, Lin L., Hou Q. Y., 2016, Structural optimization and physical properties of TcB3and MoB3at high-pressure: First-principles,International Journal of Modern Physics B, 30, 1650131.
【4】Bai X. W.,Zhao E. J.,* Li K., Wang Y., Jiao M.G., He F., Sun X. X., Sun H., Wu Z. J.,*2016, Theoretical insights on the reaction pathways for oxygen reduction reaction on phosphorus doped graphene.Carbon, 105, 214-223.
【5】Zhang X. Z.,Zhao E. J., *Wu Z. J., 2015, Prediction of new high pressure of TaB3: first-principles.Journal of Alloys and Compounds,632, 37-43
【6】Zhang X. Z.,Zhao E. J.,* Wu Z. J., Li K., Hou Q. Y., 2014, Phase stability and mechanical properties of ruthenium borides from first principles calculations.Computational Materials Science, 95, 377-383.
【7】Ying C.,Zhao E. J.,*Lin. L., Hou Q. Y., 2014, Structural determination and physical properties of 4d transitional metal diborides by first-principles calculations.Modern Physics Letters B, 28, 1450213.
【8】Zhao J. D., Liu Z.,Zhao E. J.,*2014, Combined effect of constant high voltage electrostatic field and variable frequency pulsed electromagnetic field on the morphology of calcium carbonate scale in circulating cooling water systems.Water Science & Technology,70, 1074-1082.
【9】Zhao L. K.,Zhao E. J.,* Wu Z. J., 2013, First-principles calculations of structural thermodynamic and mechanical properties of 5d transitional metal diborides.Acta Physica Sinica,62 (4), 046201-9.
【10】Zhao E. J., Meng J., Ma Y. M., Wu Z. J.,*2010,Phase stability and mechanical properties of tungsten borides by first principles.Physical Chemistry Chemical Physics,12 (40), 13158-13165.
【11】Zhao E. J., Wang J. P., Wu Z. J.,*2010,Structural stability and phase transition in OsC and RuC.Journal of Computational Chemistry,31 (16), 2883-2888.
【12】Zhao E. J., Wang J. P., Meng J., Wu Z. J.,*2010,Phase stability and mechanical properties of rhenium borides by first-principles calculations.Journal of Computational Chemistry,31 (9), 1904-1910.
【13】Zhao E. J., Wang J. P., Wu Z. J.,*2010,Displacive phase transition, structural and mechanical properties of the ultra-incompressible and hard MoN by first-principles.Physical Status Solidi B,247, 1207-1213.
【14】Zhao E. J., Wang J. P., Meng J., Wu Z. J.,* 2010, Structural, mechanical and electronic properties of 4d transition metal mononitrides by first principles.Computational Materials Science, 47 (4), 1064-1071.
【15】Zhao E. J., Hong, B., Meng J., Wu Z. J.,*2009,First principles investigation on the ultra-incompressible and hard TaN.Journal of Computational Chemistry,30 (14), 2358-2363.
【16】Zhao E. J., Wang J. P., Meng J., Wu Z. J.,* 2009, Ab initio study on the electronic and mechanical properties of ReB and ReC.Journal of Solid State Chemistry, 182, 960-965.
【17】Zhao E. J., Wu Z. J.,* 2008, Electronic and mechanical properties of 5d transition metal mononitrides via first principles.Journal of Solid State Chemistry, 181, 2814-2817.
【18】Zhao E. J., Wu Z. J.,* 2008, Structural, electronic and mechanical properties of ReN2from first principles.Computational Materials Science, 44, 531-535.
【19】Wu Z. J.,*Zhao E. J., Xiang H. P., Hao X. F., Liu X. J., Meng J., Crystal structures and elastic properties of superhatd IrN2and IrN3from first principles.Physical Review B, 2007, 76, 054115-15.
【20】Zhao E. J., Xiang H. P., Meng J., Wu Z. J.,* 2007, First-principles investigation on the elastic, magnetic and electronic properties of MFe3N (M=Fe, Ru, Os).Chemical Physics Letters, 449, 96-100.