S
Sergei Tretiak
Researcher at Los Alamos National Laboratory
Publications - 475
Citations - 28719
Sergei Tretiak is an academic researcher from Los Alamos National Laboratory. The author has contributed to research in topics: Excited state & Density functional theory. The author has an hindex of 73, co-authored 415 publications receiving 23905 citations. Previous affiliations of Sergei Tretiak include European University of Brittany & University of Central Florida.
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Journal ArticleDOI
Dependence of Spurious Charge-Transfer Excited States on Orbital Exchange in TDDFT: Large Molecules and Clusters
Rudolph J. Magyar,Sergei Tretiak +1 more
TL;DR: Several practical approaches are formulated to overcome difficulties providing a reliable description of electronic excitations in nanosystems.
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Third and fourth optical transitions in semiconducting carbon nanotubes.
Paulo T. Araujo,Stephen K. Doorn,Svetlana Kilina,Sergei Tretiak,Erik Einarsson,Shigeo Maruyama,Helio Chacham,Marcos A. Pimenta,Ado Jorio +8 more
TL;DR: This work establishes the diameter and chiral angle dependence of the poorly studied third and fourth optical transitions in semiconducting tubes and explains the result showing strongly bound excitons in the first and second transitions and a delocalized electron wave function in the third transition.
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Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials.
Amanda Neukirch,Wanyi Nie,Jean-Christophe Blancon,Kannatassen Appavoo,Hsinhan Tsai,Matthew Y. Sfeir,Claudine Katan,Laurent Pedesseau,Jacky Even,Jared Crochet,Gautam Gupta,Aditya D. Mohite,Sergei Tretiak +12 more
TL;DR: An in-depth computational study of small polaron formation, electronic structure, charge density, and reorganization energies using both periodic boundary conditions and isolated structures suggests formamidinium and cesium based crystals and alloys are potentially better materials for solar cell and other optoelectronic applications.
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Effect of surface ligands on optical and electronic spectra of semiconductor nanoclusters.
TL;DR: Comparing QDs passivated by different ligands, it is found that hybridized states are denser at the edge of the conduction band of the cluster ligated with phosphine oxide molecules than that with primary amines.
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Stable Light-Emitting Diodes Using Phase-Pure Ruddlesden-Popper Layered Perovskites.
Hsinhan Tsai,Hsinhan Tsai,Wanyi Nie,Jean-Christophe Blancon,Constantinos C. Stoumpos,Chan Myae Myae Soe,Jinkyoung Yoo,Jared Crochet,Sergei Tretiak,Jacky Even,Aditya Sadhanala,Giovanni Azzellino,Roberto Brenes,Pulickel M. Ajayan,Vladimir Bulovic,Samuel D. Stranks,Samuel D. Stranks,Richard H. Friend,Mercouri G. Kanatzidis,Aditya D. Mohite +19 more
TL;DR: Efficient and stable LEDs processed from solution with tunable color enabled by using phase-pure 2D Ruddlesden-Popper (RP) halide perovskites with a formula (CH3 (CH2 )3 NH3 )2 (CH4 NH3)n-1 Pbn I3n+1 are reported.