杨宇
近期热点
资料介绍
个人简历
教育经历2003/9 - 2008/7,博士,清华大学高等研究院,凝聚态理论物理专业1999/9 - 2003/7,学士,兰州大学物理学院,电子器件与材料工程专业工作经历2011/7 - 至今,北京应用物理与计算数学研究所,副研究员2008/7 - 2011/7,北京应用物理与计算数学研究所,助理研究员个人荣誉、所获奖项等2013年,军队科技进步二等奖2017年,中国核学会学术年会优秀论文一等奖2017年,中国工程物理研究科技院创新二等奖研究领域
1)金属材料大气腐蚀微观机制的微介观模拟2)锕系金属及其化合物的强关联特性与多相物性3)多相催化等表面物理化学问题的理论模拟研究4)金属及氧化物团簇的化学组态5)低维及层状材料的电子态及电声耦合特性近期论文
1) C. Zhang, Y. Yang*, P. Zhang*, “Dissociation Mechanism of Water Molecules on the PuO2(110) Surface: An Ab Initio Molecular Dynamics Study”, J. Phys. Chem. C122, 371 (2018).2) M. L. Li, Y. Yang, F. W. Zheng, and P. Zhang, “Electronic and vibrational properties of Pu3Ga: A theoretical explanation for the phonon softening observed in Pu-Ga alloys”, Phys. Rev. B96, 134102 (2017).3) Zhen-Guo Fu, Zi-Yu Hu, Yu Yang*, Yong Lu, Fa-Wei Zheng and P. Zhang*, “Modulation of doping and biaxial strain on the transition temperature of the charge density wave transition in 1T-TiSe2”,RSC Adv.6, 76972 (2016).4) Y. Yang, H. T. Liu, and P. Zhang, “Structural and electronic properties of UnOm(n=1-3,m=1-3n) clusters: A theoretical study using screened hybrid density functional theory”, J. Chem. Phys.144, 184304 (2016).5) R. F. Dou, Y. Yang, P. Zhang, D. Y. Zhong, H. Fuchs, Y. Wang, and L. F. Chi, “Building the Chessboard-like Supramolecular Structures on Au(111) Surfaces”, Nanotechnology26, 385601 (2015).6) Y. Lu, Y. Yang, and P. Zhang, “Charge states of point defects in plutonium oxide: A first-principles study”, J. Alloys Compd.649, 544 (2015).7) Y. Yangand P. Zhang, “First-principles molecular dynamics study of water dissociation on the γ-U(100) surface”, J. Phys.: Condens. Matter27, 175005 (2015).8) Y. Yang, Y. Lu, and P. Zhang, “Optical properties of PuO2and α-Pu2O3by GGA+U+QA studies”, J. Nucl. Mater.452, 414 (2014).9) Y. Yangand P. Zhang, “Chemical bondings and vibrational properties of ordered (U, Np, Pu) mixed oxides”, J. Appl. Phys.113, 013501 (2013).10) Y. Yang, B. T. Wang, P. Zhang, “Electronic and mechanical properties of ordered (Pu, U)O2compounds: A density functional theory +UStudy”, J. Nucl. Mater.433, 345 (2013).11) W. Yang, Y. Yang, F. W. Zheng, and P. Zhang, “The distorted K1soft mode of hexagonal-BN sheet and effects of charge doping”, Appl. Phys. Lett.103, 183106 (2013).12) W. Yang, Y. Yang, F. W. Zheng, and P. Zhang, “Vibration responses of h-BN sheet to charge doping and external strain”, J. Chem. Phys.139, 214708 (2013).13) Y. Yang, W. Yang, and P. Zhang, “Electron correlation and spin-orbit coupling effects in US3and USe3”, J. Chem. Phys.137, 214703 (2012).14) Y. Yang, P. Zhang, P. Shi, and X. L. Wang, \标签:
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