Publications

Title Author Year Publication type
Silicon Anodes with Improved Calendar Life Enabled By Multivalent Additives Zhang Y; Li X; Sivonxay E; Wen J; Persson KA; Vaughey JT; Key B; Dogan F 2021 Journal Article
Band gaps of crystalline solids from Wannier-localization–based optimal tuning of a screened range-separated hybrid functional D. Wing; G. Ohad; J. B. Haber; M. R. Filip; S. E. Gant; J. B. Neaton; L. Kronik 2021 Journal Article
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E. Epifanovsky; J. B. Neaton; K. B. Whaley; A. I. Krylov 2021 Journal Article
Bottom-Up Synthesized Nanoporous Graphene Transistors Mutlu Z; Jacobse PH; McCurdy RD; Llinas JP; Lin Y; Veber GC; Fischer FR; Crommie MF 2021 Journal Article
Orbital Angular Momentum from Self-Assembled Concentric Nanoparticle Rings Vargo E; Evans KM; Wang Q; Sattler A; Qian Y; Yao J; Xu T 2021 Journal Article
Evidence for quantum spin liquid behaviour in single-layer 1T-TaSe2 from scanning tunnelling microscopy Ruan W; Chen Y; Tang S; Hwang J; Tsai HZ; Lee RL; Wu M; Ryu H; Kahn S; Liou F; Jia C; Aikawa AS; Hwang C; Wang F; Choi Y; Louie SG; Lee PA; Shen ZX; Mo SK; Crommie MF 2021 Journal Article
Insight into SEI Growth in Li-Ion Batteries using Molecular Dynamics and Accelerated Chemical Reactions Alzate-Vargas L; Blau SM; Spotte-Smith EWC; Allu S; Persson KA; Fattebert J-L 2021 Journal Article
Four-Spin Terms and the Origin of the Chiral Spin Liquid in Mott Insulators on the Triangular Lattice Cookmeyer T; Motruk J; Moore JE 2021 Journal Article
Imaging local discharge cascades for correlated electrons in WS2/WSe2 moiré superlattices Li H; Li S; Naik MH; Xie J; Li X; Regan EC; Wang D; Zhao W; Yumigeta K; Blei M; Taniguchi T; Watanabe K; Tongay S; Zettl A; Louie SG; Crommie MF; Wang F 2021 Journal Article
Actively variable-spectrum optoelectronics with black phosphorus Kim H; Uddin SZ; Lien DH; Yeh M; Azar NS; Balendhran S; Kim T; Gupta N; Rho Y; Grigoropoulos CP; Crozier KB 2021 Journal Article
Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network Xie X; Clark Spotte-Smith EW; Wen M; Patel HD; Blau SM; Persson KA 2021 Journal Article
Envisioning the “Air Economy” — Powered by Reticular Chemistry and Sunlight for Clean Air, Clean Energy, and Clean Water Yang P; Clark DS; Yaghi OM 2021 Journal Article
Present and future trends in spin ARPES Lin C-Y; Moreschini L; Lanzara A 2021 Journal Article
Molecular Properties and Chemical Transformations Near Interfaces Ahmed M; Blum M; Crumlin EJ; Geissler PL; Head-Gordon T; Limmer DT; Mandadapu KK; Saykally RJ; Wilson KR 2021 Journal Article
Quantum chemical calculations of lithium-ion battery electrolyte and interphase species Spotte-Smith EWC; Blau SM; Xie X; Patel HD; Wen M; Wood B; Dwaraknath S; Perssona KA 2021 Journal Article
Transport Phenomena in Low Temperature Lithium-Ion Battery Electrolytes Ringsby AJ; Fong KD; Self J; Bergstrom HK; McCloskey BD; Persson KA 2021 Journal Article
Vibronic coupling in energy transfer dynamics and two-dimensional electronic–vibrational spectra Arsenault EA; Schile AJ; Limmer DT; Fleming GR 2021 Journal Article
Ligand removal of Au25 nanoclusters by thermal and electrochemical treatments for selective CO2 electroreduction to CO Chen S; Li M; Yu S; Louisia S; Chuang W; Gao M; Chen C; Jin J; Salmeron MB; Yang P 2021 Journal Article
Tellurium Single‐Crystal Arrays by Low‐Temperature Evaporation and Crystallization Zhao C; Batiz H; Yasar B; Kim H; Ji W; Scott MC; Chrzan DC; Javey A 2021 Journal Article
Insights into the Mechanism of Methanol Steam Reforming Tandem Reaction over CeO2 Supported Single-Site Catalysts Chen L; Qi Z; Peng X; Chen JL; Pao CW; Zhang X; Dun C; Young M; Prendergast D; Urban JJ; Guo J; Somorjai GA; Su J 2021 Journal Article
Synthesis of model sodium sulfide films McAuliffe RD; Petrova V; McDermott MJ; Tyler JL; Self EC; Persson KA; Liu P; Veith GM 2021 Journal Article
A framework for quantifying uncertainty in DFT energy corrections Wang A; Kingsbury R; McDermott M; Horton M 2; Jain A; Ong PS; Dwaraknath S; Persson KA 2021 Journal Article
Redox Mediated Control of Electrochemical Potential in Liquid Cell Electron Microscopy Moreno-Hernandez IA; Crook MF; Ondry JC; Alivisatos AP 2021 Journal Article
Insights Into the Uptake of N2O5 by Aqueous Aerosol Using Chemically Accurate Many-Body Potentials Cruzeiro VWD; Galib M; Limmer DT; Goetz AW 2021 Journal Article
Production of PHB From CO2-Derived Acetate With Minimal Processing Assessed for Space Biomanufacturing Cestellos-Blanco S; Friedline S; Sander KB; Abel AJ; Kim JM; Clark DS; Arkin AP; Yang P 2021 Journal Article
Inhibited nonradiative decay at all exciton densities in monolayer semiconductors Kim H; Uddin SZ; Higashitarumizu N; Rabani E; Javey A 2021 Journal Article
Elucidating the Role of Halides and Iron during Radiolysis-Driven Oxidative Etching of Gold Nanocrystals Using Liquid Cell Transmission Electron Microscopy and Pulse Radiolysis Crook MF; Laube C; Moreno-Hernandez IA; Kahnt A; Zahn S; Ondry JC; Liu A; Alivisatos AP 2021 Journal Article
Automated Adsorption Workflow for Semiconductor Surfaces and the Application to Zinc Telluride Andriuc O; Siron M; Montoya JH; Horton M; Persson KA 2021 Journal Article
Radio frequency mixing modules for superconducting qubit room temperature control systems Xu Y; Huang G; Santiago DI; Siddiqi I 2021 Journal Article
Principles of low dissipation computing from a stochastic circuit model Gao CY; Limmer DT 2021 Journal Article
Exchange Bias in a Layered Metal–Organic Topological Spin Glass R. A. Murphy; L. E. Darago; M. E. Ziebel; E. A. Peterson; E. W. Zaia; M. W. Mara; D. Lussier; E. O. Velasquez; D. K. Shuh; J. J. Urban; J. B. Neaton; J. R. Long 2021 Journal Article
Revealing the Phase Separation Behavior of Thermodynamically Immiscible Elements in a Nanoparticle Chen P-C; Gao M; Yu S; Jin J; Song C; Salmeron M; Scott MC; Yang P 2021 Journal Article
A large deviation theory perspective on nanoscale transport phenomena Limmer DT; Gao CY; Poggioli AR 2021 Journal Article
Towards a Biomanufactory on Mars Berliner AJ; Hilzinger JM; Yang P; Criddle CS; McDonald KA; Seefeldt LC; Menezes AA; Arkin AP 2021 Journal Article
‘Eye’ of the molecule—a viewpoint Lee S; Yaghi OM 2021 Journal Article
A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods C. Song; T. J. Martinez; J. B. Neaton 2021 Journal Article
Two-dimensional electronic–vibrational spectroscopy: Exploring the interplay of electrons and nuclei in excited state molecular dynamics Arsenault EA; Bhattacharyya P; Yoneda Y; Fleming GR 2021 Journal Article
Unraveling excitation energy transfer assisted by collective behaviors of vibrations Li Z; Ko L; Yang Z; Sarovar M; Whaley KB 2021 Journal Article
Efficient spontaneous emission by metal-dielectric antennas; antenna Purcell factor explained Hooten S; Andrade NM; Wu MC; Yablonovitch E 2021 Journal Article
Entropy production fluctuations encode collective behavior in active matter 2021 Journal Article
Prospects for Employing Lithium Copper Phosphates as High-Voltage Li-Ion Cathodes Vincent RC, ,; Shen J-X; Preefer MB; Preefer MB; Lin J; Seeler F; Schierle-Arndt K; Persson KA; Seshadri R 2021 Journal Article
Efficient Fizeau drag from Dirac electrons in monolayer graphene Zhao W; Zhao S; Li H; Wang S; Wang S; Utama MIB; Kahn S; Jiang Y; Xiao X; Yoo SJ; Watanabe K; Taniguchi T; Zettl A; Wang F 2021 Journal Article
Vibrational relaxation dynamics in layered perovskite quantum wells Quan LN; Park Y; Guo P; Gao M; Jin J; Huang J; Copper JK; Schwartzberg A; Schaller R; Limmer DT; Yang P 2021 Journal Article
Origins of anisotropic transport in the electrically switchable antiferromagnet Fe 1 / 3 NbS 2 S. F. Weber; J. B. Neaton 2021 Journal Article
Gold-Nanocluster-Mediated Delivery of siRNA to Intact Plant Cells for Efficient Gene Knockdown Zhang H,; Cao Y; Xu D; Goh NS; Demirer GS; Cestellos-Blanco S; Chen Y; Landry MP; Yang P 2021 Journal Article
State of the Art and Prospects for Halide Perovskite Nanocrystals Dey A; Yang P; Hoye RLZ; Polavarapu L 2021 Journal Article
A New Perspective and Design Principle for Halide Perovskites: Ionic Octahedron Network (ION) Jin J; Folgueras MC; Gao M; Yu S; Louisia S; Zhang Y; Quan LN; Chen C; Zhang R; Seeler F; Schierle-Arndt K; Yang P 2021 Journal Article
Database of ab initio L-edge X-ray absorption near edge structure Chen Y; Chen C; Zheng C; Dwaraknath S; Horton MK; Cabana J; Rehr J; Vinson J; Dozier A; Kas JJ; Persson KA; Ong SP 2021 Journal Article
Externally driven broadband transmission in strongly disordered materials Bachelard N; Ropp C; Yang S; Zhang X 2021 Journal Article
Graphene Electric Field Sensor Enables Single Shot Label-Free Imaging of Bioelectric Potentials Balch HB; McGuire AF; Horng J; Tsai HZ; Qi KK; Duh YS; Forrester PR; Crommie MF; Cui B; Wang F 2021 Journal Article