个人简介
程新路，2003-2004年在美国伊利诺伊大学物理系凝聚态理论组做访问教授。主要从事原子分子结构与光谱、强关联系统的量子Monte Carlo计算、含能材料的原子分子设计、高温高压下凝聚态物性、聚变物理中的原子分子过程以及原子分子与材料相互作用等研究。作为负责人主持973子课题1项以及国家自然科学基金5项、并主持和参与重点实验室基金等省部级以上项目10余项。在Phys.Rev. B、Nanoscale, Appl. Phys. Lett., J. Phys. Chem. C等SCI 刊物上发表论文150余篇。
研究领域
1.空间环境中原子分子与材料相互作用
2. 含能材料的原子分子设计
3.极端条件下的原子分子过程与电子激发效应
近期论文
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(1) Yan Gaiqin;Zhang Hong;Zhu Zhiyang;Ren Dahua;Cheng, XinLu, Different effects of electronic excitation on metals and semiconductors, Physical Review B, 2016, 93(21):214302.
(2) Jiang Xiaoxu;Chen Guanyu;Li Yutong;Guo Feng;Cheng XinLu, Phase transition and chemical decomposition of liquid oxygen and nitrogen mixture under high pressures, J. Physical Chemistry C, 2016, 120(25):13366-13374,
(3)Zeng huadong;Cheng xinlu;Zhang chaoyang;Lu zhipeng, Responses of core-shell Al/Al2O3 nanoparticles to heating: reaxFF molecular dynamics simulations, J. Physical Chemistry C, 2018, 122(16):9191-9197
(4) Ma Bo;Zhao Feng;Miao Feng;Zhang Jidong;Cheng Xinlu, The mechanical and thermal responses of colliding oxide-coated aluminum nanoparticles, J. Applied Physics, 2017, 121(14):145108.
(5) Zhu Zhi-Yang;Ma Bo;Tang Cuiming;Cheng XinLu, Molecular dynamic simulation of thermite reaction of Al nanosphere/Fe2O3 nanotube, Physics Letters A, 2016, 380(1-2):194-199.
(6) Jia Zhang;Nanlin He;Gaiqin Yan;Xinlu Cheng, Lattice response to the relaxation of electronic pressure of ultrafast laserirradiated copper and nickum, J. Physics:Condensed matter, 2018, 30(8):085401.
(7) Hong Zhang;Y. Miyamoto;Xinlu Cheng, Detection of coherent electron dynamics in benzene and polycyclic aromatic hydrocarbons by two antiphase pulses: An ab initio study, Applied Physics Letters, 2017, 111(25):253301.
(8)Lin Jiahe;Zhang Hong;Miyamoto Y.; Cheng XinLu, Two-dimensional wide-band-gap nitride semiconductors: Single-layer 1T-XN2 (X = S, Se, and Te), Physical Review B, 2016, 94(19):1954041-1954048.
(9)Shu Xiao-qin;Zhang Hong;Miyamoto Y.;Cheng Xin-lu, Tunable plasmons in few-layer nitrogen-doped graphene nanostructures: A time-dependent density functional theory study, Physical Review B, 2016, 93(19):195424.
(10)Lin Jiahe;Zhang Hong;Miyamoto Y.;Cheng XinLu, Single-layer group IV-V and group V-IV-III-VI semiconductors: Structural stability, electronic structures, optical properties, and photocatalysis, Physical Review B, 2017, 96(3):035438.
(11)Miyamoto Y.;Zhang Hong;Cheng Xinlu;Rubio A., Modeling of laser-pulse induced water decomposition on two-dimensional materials by simulations based on time-dependent density functional theory, Physical Review B, 2017, 96(11):115451.
(12)Liu Pingping;Zhang Hong;Tang Yongjian;Cheng Xinlu. Ti-decorated B-38 fullerene: A high capacity hydrogen storage material, Int. J. Hydrogen Energy, 2016, 41(42)：19123-19128.
(13) Ni Chao;Cheng Junxia;Cheng Xinlu, Ab initio calculations for the first-positive bands of N-2,J. Molecular Spectroscopy, 2017, 331:17-22.
(14) Zhang Yafei;Cheng Xinlu, First-principles study of hydrogen storage on Li12F12 nano-cage, Chemical Physics Letters, 2017, 672:105-111.
(15) Ren Dahua;Cheng Junxia;Cheng Xinlu, Ab initio studies of Nb-N-S tri-doped TiO2 with enhanced visible light photocatalytic activity, J. Solid State Chemistry, 2016, 238:83-87.
(16) Liu Pingping;Zhang Hong;Tan, Yongjian;Cheng XinLu, External electric field: An effective way to prevent aggregation of Mg atoms on gamma-graphyne for high hydrogen storage capacity, Applied Surface Science, 2016, 371:44-49.
(17)Hong Zhang;Y. Miyamoto;A. Rubio;Xinlu Cheng, Optical field terahertz amplitude modulation by graphene nanoribbons, Nanoscale, 2015, 19012-19017.
(18) Dahua Ren;Huiran Li;Xinlu Cheng, Tailoring the electronic and optical properties of anatase TiO2 (S,Nb) co-doping froma DFT plus U calculation by(S,Nb) co-doping from a DFT plus U calculation, Solid State Communications, 2015, 223:54-59.
(19) Cheng Junxia;Chen Huajun;Zhu Xijuan;Cheng, Xinlu, Theoretical study of the ro-vibrational spectrum of CaO molecule in its two X-1 Sigma(+) and A(1) Sigma(+) states, J. Molecular Structure, 2015, 1084:122-127.
(20)Huajun Chen, XinLu Cheng,Hao Liu, Jie Wu, Studies on the electric dipole moment function and line parameters for high overtone bands of NO, J. Quantitative Spectroscopy and Radiative Transfer, 2014, 142:49-57.
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