Publications

Title Author Year Publication type
Simulation-Based Study of High-Permittivity Inserted-Oxide FinFET With Low-Permittivity Inner Spacers Wu Y.; Chiang M.; Chen J.; Liu T. 2021 Journal Article
Nanocrystals as Model Systems for Studying the Interplay Between Crystallization and Chirality Hananel U; Moshe AB; Markovich G; Alivisatos AP 2021 Journal Article
Imaging two-dimensional generalized Wigner crystals Li H; Li S; Regan EC; Wang D; Zhao W; Kahn S; Yumigeta K; Blei M; Taniguchi T; Watanabe K; Tongay S; Zettl A; Crommie MF; Wang F 2021 Journal Article
Diversifying Composition Leads to Hierarchical Composites with Design Flexibility and Structural Fidelity Ma L,; Huang H; Vargo E; Huang J; Anderson CL; Chen T; Kuzmenko I; Ilavsky J; Wang C; Liu Y; Ercius P 2021 Journal Article
Inducing metallicity in graphene nanoribbons via zero-mode superlattices Rizzo D; Veber G; Jiang J; McCurdy R; Cao T; Chen T; Louie S; Fischer F; Crommie M 2021 Journal Article
Molecular insights and future frontiers in cell photosensitization for solar-driven CO2 conversion Cestellos-Blanco S; Kim JM; Watanabe NG; Chan RR; Yang P 2021 Journal Article
Engineering high-coherence superconducting qubits Siddiqi I 2021 Journal Article
Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space Todd PK; McDermott MJ; Rom CL; Corrao AA; Denney JJ; Dwaraknath SS; Khalifah PG; Persson KA; Neilson JR 2021 Journal Article
The solvation structure, transport properties and reduction behavior of carbonate-based electrolytes of lithium-ion batteries Hou T; Fong KD; Wang J; Persson KA 2021 Journal Article
Directed assembly of layered perovskite heterostructures as single crystals M. L. Aubrey; A. S. Valdes; M. R. Filip; B. A. Connor; K. P. Lindquist; J. B. Neaton; H. I. Karunadasa 2021 Journal Article
Role of Fluorine in Chemomechanics of Cation-Disordered Rocksalt Cathodes Chen D; Zhang J; Jiang Z; Wei C; Burns J; Li L; Wang C; Persson KA; Liu Y; Chen G 2021 Journal Article
Distinct Chemistries Explain Decoupling of Slip and Wettability in Atomically Smooth Aqueous Interfaces Poggioli AR; Limmer DT 2021 Journal Article
Band Edge Energy Tuning through Electronic Character Hybridization in Ternary Metal Vanadates M. H. Richter; E. A. Peterson; L. Zhou; A. A. Shinde; P. F. Newhouse; Q. Yan; S. W. Fackler; J. Yano; J. K. Cooper; K. A. Persson; J. B. Neaton; J. M. Gregoire 2021 Journal Article
Visualizing electron localization of WS2/WSe2 moiré superlattices in momentum space Stansbury CH; Utama MIB; Fatuzzo CG; Regan EX; Wang D; Xiang Z; Ding M; Watanabe K; Taniguchi T; Blei M; Shen Y; Lorcy S; Bostwick A; Jozwiak C; Koch R; Tongay S; Avila J; Rotenberg E; Wang F; Lanzara A 2021 Journal Article
From Molecules to Frameworks to Superframework Crystals Ji Z; Freund R; Diercks CS; Hirschle P; Yaghi OM; Wuttke S 2021 Journal Article
Vibronic coupling in light-harvesting complex II revisited Arsenault EA; Schile AJ; Limmer DT; Fleming GR 2021 Journal Article
Emergent hydrodynamics in a strongly interacting dipolar spin ensemble Zu C; Machado F; Ye B; Choi S; Kobrin B; Mittiga T; Hsieh S; Bhattacharyya P; Markham M; Twitchen D; Jarmola A; Laumann CR; Budker D; Moore JE; Yao NY 2021 Journal Article
Spatiotemporal Crossover between Low- and High-Temperature Dynamical Regimes in the Quantum Heisenberg Magnet Dupont M, ,; Sherman NE; Moore JE 2021 Journal Article
Heterostructured Au–Ir Catalysts for Enhanced Oxygen Evolution Reaction Chen P-C; Li M; Jin J; Yu S; Chen S; Chen C; Salmeron M; Yang P 2021 Journal Article
A Resonantly Driven, Electroluminescent Metal Oxide Semiconductor Capacitor with High Power Efficiency Wang V; Javey A 2021 Journal Article
Effective Local Geometry Descriptor for 29Si NMR Q4 Anisotropy Venetos MC; Dwaraknath S; Persson KA 2021 Journal Article
Organic Hyperbolic Material Assisted Illumination Nanoscopy Lee YU,; Posner C; Nie Z; Zhao J; Li S; Bopp SE; Wisna GBM; Ha J; Song C; Zhang J; Yang S; Zhang X; Liu Z 2021 Journal Article
Surface chemistry of hot electron and metal-oxide interfaces Lee SW; Lee H; Park Y; Kim H; Somorjai GA; Park JY 2021 Journal Article
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
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
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
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
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
Vibronic coupling in energy transfer dynamics and two-dimensional electronic–vibrational spectra Arsenault EA; Schile AJ; Limmer DT; Fleming GR 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
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
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
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
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
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