Qiu, Diana Y. - Yale University - Department of Mechanical Engineering and Materials Science

个人简介

Employment Assistant Professor, 2020-present, Yale University, New Haven, CT, USA Primary appointment: Mechanical Engineering and Materials Science Courtesy appointments: Physics, Applied Physics Postdoctoral Researcher, 2017-2019, Lawrence Berkeley National Lab, Berkeley, CA, USA Education Ph.D. Physics, University of California, Berkeley, August 2017 Advisor: Prof. Steven G. Louie Thesis: Many-Body Effects on the Quasiparticle and Optical Properties of Quasi-two-dimensional Systems B.S. Physics, Yale University, May 2011 Awards and Honors National Academy of Sciences Kavli Fellow, 2024 NSF Career Award, 2023 Packard Fellowship for Science and Engineering, 2021 DOE Early Career Award, 2021 Rising Stars in Physics Workshop, Massachusetts Institute of Technology, 2018 Jackson C. Koo Award, 2017 National Science Foundation Graduate Research Fellowship, 2011-2016 Berkeley Chancellor’s Fellowship, 2011-2013 Howard L. Schultz Prize, 2011 Barry Goldwater Scholarship, 2010

研究领域

Our group is engaged in research in the fields of computational and theoretical materials science. Our primary focus is the effect of many-body interactions on the excited state properties of a broad range of materials systems, particularly organic and inorganic nanostructures, materials in reduced dimensions and complex functional materials. We develop and apply computational methods to understand and predict the electronic, optical and dynamical properties of these materials from first principles (or ab initio). Exciton Transport & Diffusion Time-Dependent Phenomena Heterojunctions, Interfaces and Substrates Defects

近期论文

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S. Li†, X. Xu†, C.A. Kocoj, C. Zhou, Y. Li, D. Chen, J.A. Bennett, S. Liu, L. Quan, M. Liu, D.Y. Qiu*, P. Guo*, "Large exchange-driven intrinsic circular dichroism of a chiral 2D hybrid perovskite," Nature Communications 15, 2573 (2024). G. Cohen, J.B. Haber, J.B. Neaton, D.Y. Qiu*, S. Refaely-Abramson*, "Phonon-driven femtosecond dynamics of excitons in crystalline pentacene from first principles," Phys. Rev. Lett. 132, 126902 (2024). 3D. Chen, S.B. Anantharaman, J. Wu, D.Y. Qiu, D. Jariwala, P. Guo, “Optical spectroscopic detection of Schottky barrier height at a two-dimensional transition-metal dichalcogenide/metal interface,” Nanoscale 16, 5169-5176 (2024). M.Gu*, Y. Lin, V. Chang Lee, D.Y. Qiu*, "Probabilistic forecast of nonlinear dynamical systems with uncertainty quantification," Physica D: Nonlinear Phenomena 457, 133928 (2024). A.M. Alvertis, A. Champagne, M. Del Ben, F.H. da Jornada, D.Y. Qiu, M.R. Filip, J.B. Neaton, "Importance of nonuniform Brillouin zone sampling for first-principles calculations of exciton binding energies in semiconductors and insulators," Physical Review B 108, 235117 (2023). S. Stolz, D. Wang, B. Hou, A. Kozhakhmetov, C. Dong, O. Groning, J.A. Robinson, D.Y. Qiu, B. Schuler, "Spin-Stabilization by Coulomb Blockade in a Vanadium Dimer in WSe2," ACS Nano 17, 23422–23429 (2023). J.B. Haber, D.Y. Qiu, F.H. da Jornada, J.B. Neaton, "Maximally-localized Wannier functions for excitons in solids," Physical Review B 108, 125118 (2023). Y.H. Chan*, D.Y. Qiu*, F.H. da Jornada*, S.G. Louie*, "Giant self-driven exciton-Floquet signatures in time-resolved photoemission spectroscopy of MoS2 from time-dependent GW approach," aProceedings of the National Academy of Science 120, e2301957120(2023). B. Hou, D. Wang, B. A. Barker, D. Y. Qiu, "Exchange-Driven Intermixing of Bulk and Topological Surface State by Chiral Excitons in Bi2Se3," Physical Review Letters, 130, 216402 (2023). J. McArthur, M. R. Filip, D. Y. Qiu, "Minimal Molecular Building Blocks for Screening in Quasi-Two-Dimensional Organic–Inorganic Lead-Halide Perovskites," Nano Letters, 23, 3796-3902 (2023). A. Champagne, J .B. Haber, S. Pokawanvit, D. Y. Qiu, S. Biswas, H. A. Atwater, F.H. da Jornada, J.B. Neaton, "Quasiparticle and Optical Properties of Carrier-Doped Monolayer MoTe2 from First Principles," Nano Letters, 23, 4274-4281 (2023). Biswas, A. Champagne, J. B. Haber, S. Pokawanvit, J. Wong, H. Akbari, S. Krylyuk, K. Watanabe, T. Taniguchi, A. V. Davydov, Z. Y. Al Balushi, D. Y. Qiu, F. H. da Jornada, J. B. Neaton, H. A. Atwater, "Rydberg Excitons in Monolayer MoTe2," ACS Nano, 17, 7685–7694 (2023). Y.-H. Chan*, J. B. Haber, M. H. Naik, J. B. Neaton, D. Y. Qiu*, Felipe H. da Jornada*, Steven G. Louie*, "Exciton Lifetime and Optical Line Width Profile via Exciton–Phonon Interactions: Theory and First-Principles Calculations for Monolayer MoS2," Nano Letters, 23, 3971-3977 (2023). J. Yin, Y. Chan, F. da Jornada, D. Y. Qiu, C. Yang, S.G. Louie, "Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition," Journal of Computational Physics, 477, 11909 (2023). T. Amit, D. Hernangómez-Pérez, G. Cohen, D. Y. Qiu, S. Refaely-Abramson, “Tunable magneto-optical properties in MoS2 via defect-induced exciton transitions,” Physical Review B, 106, L161407 (2022). J. Yin, Y. Chan, F. da Jornada, D. Y. Qiu, S.G. Louie, C. Yang, "Using Dynamic Model Decomposition to Predict the Dynamics of a Two-time Non-equilibrium Green's function," Journal of Computational Science, 64, 101843 (2022). L. Yue, R. Hollinger, C.B. Uzundal, B. Nebgen, Z. Gan, A. George, C. Spielmann, D. Kartashov, A. Turchanin, D.Y. Qiu, M.B. Gaarde, M. Zuerch, "Probing of multi-band effects in high-harmonic generation in monolayer MoS2." Physical Review Letters, 129, 147401. (2022) M.R. Filip, D.Y. Qiu, M. Del Ben and J.B. Neaton "Screening of Excitons by Organic Cations in Quasi-Two-Dimensional Organic–Inorganic Lead-Halide Perovskites." Nano Letters, 22, 4870-4878 (2022). M. Wang, A. Kumar, H. Dong, J.M. Woods, J.V. Pondick, S. Xu, P. Guo, D.Y. Qiu, J.J. Cha, "A Gapped Phase in Semimetallic Td-WTe2 Induced by Lithium Intercalation." Advanced Materials, 220861 (2022). F. Tang, Z. Li, C. Zhang, S.G. Louie, R. Car, D.Y. Qiu*, X. Wu*, "Many-Body Effects in the X-ray Absorption Spectra of Liquid Water." Proceedings of the National Academy of Sciences, 119, e2201258119 (2022). P. Wang, W. Lee, P. Corbett, W.H. Koll, N.M. Vu, D.A. Laleyan, Q. Wen, Y. Wu, A. Pandely, J. Gim, D. Wang, D.Y. Qiu, R. Hovden, M. Kira, J.T. Heron, J.A. Gupta, A. Kioupakis, Z. Mi, "Scalable Synthesis of Monolayer Boron Nitride on Graphene," Advanced Materials (2022). J.V. Pondick, S. Yazdani, A. Kumar, D. J. Hyneck. J.L. Hart, M. Wang, D.Y. Qiu, J.J. Cha, "Thickness-dependent phase transition kinetics in lithium-intercalated MoS2," 2D Materials, 9, 025009 (2022). J.V. Pondick, A. Kumar, M. Wang, S. Yazdani, J.M. Woods, D.Y. Qiu, J.J. Cha, "Heterointerface control over lithium-induced phase transitions in MoS2 heterostructures," ACS Appl. Nano Mater. , 4, 14105–14114 (2021). C. Zhang, F. Tang, M. Chen, J. Xu, L. Zhang, D.Y. Qiu, J.P. Perdew, M.L. Klein, X. Wu, "Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by using deep neural network potentials," J. Phys. Chem. B, 125, 11444-11456 (2021). K.Q. Lin, C.S. Ong, S. Bange, P.E. Faria Jr, B. Peng, J.D. Ziegler, J. Zipfel, C. Bäuml, N. Paradiso, K. Watanabe, T. Taniguchi, C. Strunk, B. Monserrat, J. Fabian, A. Chernikov, D.Y. Qiu, S.G. Louie, J.M. Lupton, "Narrow-band high-lying excitons with negative-mass electrons in monolayer WSe2," Nature Communications, 12, 5500 (2021). D.Y. Qiu*, G. Cohen, D. Novichkova, S. Refaely-Abramson*, "Signatures of Dimensionality and Symmetry in Exciton Bandstructure: Consequences for Time-Evolution," Nano Letters, 21, 7644-7650 (2021). F. Tang, J. Xu, D.Y. Qiu*, X. Wu*, "Nuclear quantum effects on the quasiparticle properties of the chloride anion aqueous solution within the GW approximation," Phys. Rev. B, 104, 035117 (2021). E. Mitterreiter, B. Schuler, A. Micevic, D. Hernangómez-Pérez, K. Barthelmi, K.A. Cochrane, J. Kiemle, F. Sigger, J. Klein, E. Wong, E.S. Barnard, K. Watanabe, T. Taniguchi, M. Lorke, F. Jahnke, J.J. Finley, A.M. Schwartzberg, S. Refaely-Abramson, D.Y. Qiu, A.W. Holleitner, A. Weber-Bargioni, C. Kastl, "The role of chalcogen vacancies for atomic defect emission in MoS2," Nature Communications, 12, 3822 (2021). Y. H. Chan, D. Y. Qiu, F. H. da Jornada, and S. G. Louie, “Giant exciton-enhanced shift currents and direct current conduction with subbandgap photo excitations produced by many-electron interactions.” PNAS, 118 (2021) . S.G. Louie*, Y.-H. Chan, F.H. da Jornada, Z. Li, and D.Y. Qiu, "Discovering and understanding materials through computation", Nature Materials, 20, 728–735 (2021). H.M. Bretscher, Z. Li, J. Xiao, D.Y. Qiu, S. Refaely-Abramson, J. Alexander-Webber, A.O.A Tanoh, Y. Fan, G. Delport, C. Williams, S.D Stranks, S. Hofmann, J.B Neaton, S.G. Louie, A. Rao, "Rational Passivation of Sulfur Vacancy Defects in Two-Dimensional Transition Metal Dichalcogenides," ACS Nano, 15, 8780-8789 (2021). S. Yazdani, J.V. Pondick, A. Kumar, M. Yarali, J.M. Woods, D.J. Hynek, D.Y. Qiu, J.J. Cha, "Heterointerface effects on lithium-induced phase transitions in intercalated MoS2," ACS Appl. Mater. Interfaces, 13, 10603 (2021). S. Yoon, T. Kim, S. Seo, S.-H. Shin, S.-B. Song, B. J. Kim, K. Watanabe, T. Taniguchi, G.-H. Lee, M. Jo, D.Y. Qiu*, J. Kim* "Electrical control of anisotropic and tightly bound excitons in bilayer phosphorene," Physical Review B, 103, L041407 (2021). D.Y. Qiu, F.H. da Jornada, and S. G. Louie, "Solving the Bethe-Salpeter equation on a subspace: Approximations and consequences for low-dimensional materials," Physical Review B, 103, 045117 (2021). D.Y. Qiu, S. Coh, M.L. Cohen, and S. G. Louie, "Comparison of GW band structure to semiempirical approach for an FeSe monolayer," Physical Review B, 101, 235154 (2020).