Wang ,Lin-Wang - Lawrence Berkeley National Laboratory -

研究领域

Inorganic Nanocrystals: Semiconductor nanocrystals, heterostructures, electron and hole states, and excitons. Surface,Interface,and Inorganic/organic attachment: Surface atomic structures, interface structures, and band alignments, organic/inorganic attachments. Semiconductor Alloys, Amorphous and Impurities : Semiconductor alloys, impurity and defect levels, and amorphous electronic structures. Elastic Quantum Transports : A unique plane wave nonlocal pseudopotential based quantum transport calculation method Nano Semiconductor Devices: Atomistic simulations of nanosized semiconductor devices (CMOS, FET). Carrier Dynamics: Carrier transport and carrier trapping in bulk defect system, nanostructure, and organic systems. Organic Systems: Atomic structure of organic systems, electronic structure, state localization, and excitons. Numerical Algorithm and Code Developments: Algorithm and code developments: PEtot, LS3DF, LCBB, Escan, PEtot_transport.

近期论文

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F. Zheng, L.W. Wang, "Ultrafast hot carrier injection in Au/GaN: the role of band bending and the interface band structure", J. Phys. Chem. Lett. 10, 6174 (2019). Y.T. Li, L. Ding, D.H. Li, J. Kang, L.Z. Li, L. Ren, Z.Y. Ju, M.X. Sun, Y. Tian, D. Xie, H. Tian, Y. Yang, L.W. Wang, L.M. Peng, T.L. Reng, "Light-enhanced ions migration in two-dimensional perovskite single crystals revealed in carbon nanotubes/two-dimensional perovskite heterostructure and its photomemory application", ACS Cent. Sci. 2019, doi.org/10.1021/acscentsci.9b00839. J. Lin, H. Chen, J. Kang, L.N. Quan, Z. Lin, Q. Kong, M. Lai, S. Yu, L. Wang, L.W. Wang, M.F. Toney, P. Yang, "Copper(I) based highly emissive all-inorganic rare-eartch halide clusters", Matter, 1, 180 (2019). W.H. Liu, J.W. Luo, S.S. Li, L.W. Wang, "Impurity diffusion induced dynamic electron donor in semiconductors", Phys. Rev. B 100, 165203 (2019). B. Zhang, Z. Lin, H. Dong, L.W. Wang, F. Pan, "Revealing cooperative Li-ion migration in Li1+xAlxTi2-x(PO4)3 solid state electrolyte with high Al doping", J. Mat. Chem. A 2019, (accepted). Y.Y. Liu, F. Liu, R. Wang, J.W. Luo, X. Jiang, R. Huang, S.S. Li, L.W. Wang, "Characterizing the charge trapping across cystalline and amorphous Si/SiO2/HfO2 stacks from first principle calculations", Phys. Rev. Appl. 2019, (accepted). Y. Zhou, G. Gao, W. Chu, L.W. Wang, "Computational screening of transition metal-doped phthalocyanine monolyers for oxygen evolution and reduction" (submitted). M. Ye, X. Jiang, S.S. Li, L.W. Wang, "A large-scale first-principle quantum transport simulation method using plane waves", (submitted). G. Gao, L.W. Wang, "A compact 3D Li-S battery design with stacking 2D conductive microporous coordination polymers and amorphous Li-S layers", (submitted). G. Zhou, A. Yang, G. Gao, X. Yu, J. Xu, C. Liu, Y. Ye, A. Pei, Y. Wu, Y. Peng, Y. Li, Z. Liang, K. Liu, L.W. Wang, Y. Cui, "Super-cooled liquid sulfur mainteind in three dimensional current collector for high performance Li-S batteries", (submitted). H. Chen, J. Lin, J. Kang, Q. Kong, D. Lu, J. Kang, M. Lai, L.N. Quan, Z. Lin, J. Jin, L.W. Wang, M.F. Toney, P. Yang, "Single crystalline Ruddlesden-Popper Phase Halide Perovskites for pure-blue light-emitting diodes", (submitted) M. Weng, F. Pan, L.W. Wang, "Wannier Koopmans method calculations for transition metal oxide band gaps" (submitted) Y. Gai, G. Tang, G. Gao, L.W. Wang, "A full landscape searching scheme for identifying the mechanism of electrochemical reaction: A case study of oxygen evolution on Fe and Co doped graphene-nitrogen sites", (submitted). Y. Xiao, Z.W. Wang, L. Shi, X. Jiang, L.W. Wang, "Anharmonic corrections to the multiphonon deep-level charge capture ab initio calculations for semiconductors", (submitted). H.S. Zhang, L. Shi, Z.H. Liu, G.Z. Xu, W.T. Song, Y.K. Wang, Z.Je. Xu, X.B. Yang, Y.J. Zhao, X.L. Yang, B. Shen, L.W. Wang, K. Xu, "Ab initio calculations and experimental verification of the competition between different recombination channels in GaN semiconductor", (submitted). Y. Gu, L. Shi, J.W. Luo, S.S. Li, L.W. Wang, "Identification of the carrier killer Z1/2 center in 4H-SiC from the first principle calculations of the non-radiative recombination", (submitted). S. Banerjee, J. Kang, X. Zhang, L.W. Wang, "The effects of interstitial Iondine in hybrid perovskite for hot carrier cooling: a non adiabatic molecular dynamics study", (submitted). D. Zherebetskyy, L.W. Wang, "Surface Chemistry of Pb-Chalcogenide Quantum Dots - Atomistic Level Theoretical Insight", (submitted) J. Gong, X.W. Jiang, L.W. Wang, "Analysis of band-to-band tunneling in InAs from first principle calculations" (submitted). P. Spech, J.H. Kang, K. Tarafder, R. Cieslinski, D. Barton, B. Barton, A. Carlsson, L.W. Wang, C. Kisielowski,"A tungsten promoted size regulation mechanism of a rhodium catalyst in real-time at atomic resolution", (submitted). M. Lucas, D. Zherebetskyy, L.W. Wang, P. Alivisatos, "Ab-initio identification of dopants for zinc sulfide intermediate band photovoltaic absorbers", (submitted).