近期主要论文:
[1] Y.J Zhang, W.Y. Xia, Y. Wu, P. Zhang. Prediction of MXene based 2D tunable band gap semiconductors: GW quasiparticle calculations. Nanoscale 2019, 11, 3993-4000.
[2] Y.J. Zhang, Z.J. Zhou, J. Lan, P. Zhang. Prediction of Ti3C2O2 MXene as an effective capturer of formaldehyde. Appl. Surf. Sci. 2019, 469, 770–774.
[3] Y.J. Zhang, J. Lan, Z. Zhuo, C.C. Ge, Z.J. Zhou, Z.F. Chai, W.Q. Shi. Theoretical study on stability, mechanical and thermodynamic properties of (Pu, Zr)N. J. Nucl. Mater. 2019, 516, 264-270.
[4] N.N. Zhang, Y.J. Zhang*, Y. Yang, P. Zhang, C.C. Ge*. Effects of Zr and V additions on the stability and migration of He in bcc W: A first-principles study. Phys. Lett. A 2019, 383, 2777-2783.
[5] N.N. Zhang, Y.J. Zhang*, Y. Yang, P. Zhang, Z. Hu, C.C. Ge*. First-principles study of structural, mechanical, and electronic properties of W alloying with Zr. Chin. Phys. B 2019, 28, 046301.
[6] Y.J. Zhang, L. Wang, N. Zhang Z. Zhou. Adsorptive environmental applications of MXene nanomaterials: a review. RSC Adv. 2018, 8, 19895.
[7] Y.J. Zhang, N. Zhang, C. Ge. First-Principles Studies of Adsorptive Remediation of Water and Air Pollutants Using Two-Dimensional MXene Materials. Materials 2018, 11, 2281.
[8] N.N. Zhang, Y.J. Zhang*, P. Zhang, Y. Yang, Z. Hu, C.C. Ge*. Theoretical insight into the effects of nitrogen and vacancy defects on the behavior of helium in tungsten. Appl. Phys. Express 2018, 11, 015801.
[9] Y.J. Zhang, Z.J. Zhou, J.H. Lan, B. Tao, C.C. Ge, Z.F. Chai, W.Q. Shi. Theoretical investigation on electronic and mechanical properties of ternary actinide (U, Np, Pu) nitrides. J. Appl. Phys. 2017, 122, 115109.
[10] Y.J. Zhang, Z.J. Zhou, J.H. Lan, C.C. Ge, Z.F. Chai, P. Zhang, W.Q. Shi.Theoretical insights into the uranyl adsorption behavior on vanadium carbide MXene. Appl. Surf. Sci. 2017, 426, 572.
[11] Y.J. Zhang, Z.J. Zhou, J.H. Lan, Z.F. Chai, W.Q. Shi. Recent Progress of actinide nitride fuel properties through first-principles simulation. Sci Sin Chim. 2017, 1, 009.
[12] N.N. Zhang, Y.J. Zhang*, Y. Yang, P. Zhang, Z. Hu, C.C. Ge. Trapping of helium atom by vacancy in tungsten: a density functional theory study. Eur. Phys. J. B 2017, 90, 101.
[13] Y.J. Zhang, J.H. Lan, L. Wang, Q.Y. Wu, C.Z. Wang, T. Bo, Z.F. Chai, and W.Q. Shi. Adsorption of uranyl species on hydroxylated titanium carbide nanosheet: A first-principles study. J. Hazard. Mater. 2016, 308,402.
[14] Y.J. Zhang, J.H. Lan, C.Z. Wang, Q.Y. Wu, T. Bo, Z.F. Chai, and W.Q. Shi. Theoretical Investigation on Incorporation and Diffusion Properties of Xe in Uranium Mononitride. J. Phys. Chem. C 2015, 119,5783.
[15] Y.J. Zhang, J.H. Lan, T. Bo, C.Z. Wang, Z.F. Chai, and W.Q. Shi. First-principles study of barium and zirconium stability in uranium mononitride nuclear fuels. J. Phys. Chem. C 2014,118, 14579.