Publications

Title Author Year Publication type
Ferroelectricity in a semiconducting all-inorganic halide perovskite Zhang Y; Parsonnet E; Fernandez A; Behera P; Pan X; Ramesh R; Yang P 2022 Journal Article
Accelerated Discovery of CH4 Uptake Capacity Metal–Organic Frameworks Using Bayesian Optimization Taw E; Neaton JB 2022 Journal Article
Carbon Dioxide Capture Chemistry of Amino Acid Functionalized Metal–Organic Frameworks in Humid Flue Gas Lyu H; Chen OI; Hanikel N; Hossain MI; Flaig RW; Pei X; Amin A; Doherty MD; Impastato RK; Glover TG; Moore DR; Yaghi OM 2022 Journal Article
Entanglement of Square Nets in Covalent Organic Frameworks Jin F; Nguyen HL; Zhong Z; Han X; Zhu C; Pei X; Ma Y; Yaghi OM 2022 Journal Article
Bright Mid-Wave Infrared Resonant-Cavity Light-Emitting Diodes Based on Black Phosphorus Gupta N; Kim H; Azar NS; Uddin SZ; Lien DH; Crozier KB; Javey A 2022 Journal Article
Efficiency Roll-Off Free Electroluminescence from Monolayer WSe2 Uddin SZ; Higashitarumizu N; Kim H; Rahman IKMR; Javey A 2022 Journal Article
Chloride-Assisted Corrosion of Copper and Protection by Benzotriazole Yang S; Zhao X; Qi Z; Lu Y-H; Somorjai G; Yang P; Baskin A; Prendergast D; Salmeron M 2022 Journal Article
Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications Greenaway AL; Ke S; Culman T; Talley KR; Persson KA; Gregoire JM; Bauers SR; Neaton JB; Tamboli AC; Zakutayev A 2022 Journal Article
Correlation-driven electron-hole asymmetry in graphene field effect devices Dale, N; Mori, R; Koch, RJ; Wang, F; Lanzara, A 2022 Journal Article
Direct Evaluation of Rare Events in Active Matter From Variational Path Sampling Das A; Kuznets-Speck B; Limmer DT 2022 Journal Article
Improving machine learning performance on small chemical reaction data with unsupervised contrastive pretraining Wen M; Blau SM; Xie X; Dwaraknath S; Persson KA 2022 Journal Article
Peptide Isomerization is Suppressed at the Air–Water Interface Singh AN; Limmer DT 2022 Journal Article
Engineering Exciton Recombination Pathways in Bilayer WSe2 for Bright Luminescence Uddin SZ; Higashitarumizu N; Kim H; Rabani E; Javey A 2022 Journal Article
Performance comparison of r 2 SCAN and SCAN metaGGA density functionals for solid materials via an automated, high-throughput computational workflow Kingsbury R; Gupta AS; Bartel CJ; Munro JM; Dwaraknath S; Horton M; Persson KA 2022 Journal Article
Orientated Growth of Ultrathin Tellurium by van der Waals Epitaxy Zhao C; Batiz H; Yasar B; Ji W; Scott MC; Chrzan DC; Javey A 2022 Journal Article
Tuning the Solvation Structure in Aqueous Zinc Batteries to Maximize Zn-Ion Intercalation and Optimize Dendrite-Free Zinc Plating Li C; Kingsbury R; Zhou L; Shyamsunder A; Persson KA; Nazar LF 2022 Journal Article
Spin splitting of dopant edge state in magnetic zigzag graphene nanoribbons Blackwell R; Zhao F; Brooks E; Zhu J; Piskun I; Wang S; Delgado A; Lee YL; Louie S 2021 Journal Article
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules Wen M; Blau SM; Spotte-Smith EWC; Dwaraknath S; Persson KA 2021 Journal Article
Evidence for a delocalization quantum phase transition without symmetry breaking in CeCoIn5 Maksimovic N; Eilbott D; Lanzara A; Analytis JG 2021 Journal Article
Quasiparticle kinetic theory for Calogero models Bulchandani V; Kulkarni M; Moore JE; Cao X 2021 Journal Article
Neural Network Representation of Tensor Network and Chiral States Huang Y; Moore JE 2021 Journal Article
Nonuniqueness of generalized quantum master equations for a single observable Ng N; Limmer DT; Rabani E 2021 Journal Article
Interface Sensitivity in Electron/Ion Yield X-ray Absorption Spectroscopy: The TiO2–H2O Interface Van Spronsen MA; Zhao X; Jaugstetter M; Escudero C; Duchoň T; Hunt A; Waluyo I; Yang P; Tschulik K; Salmeron MB 2021 Journal Article
Recent Progress on Two-Dimensional Materials Chang C; Chen W; Chen Y; Zhang X; Zhao LD; Zhao M; Zhao W; Zhao Y; Zhou KG; Zhou X; Zhou Y; Zhu H; Zhang H; Liu Z 2021 Journal Article
Photoinduced Charge Transfer and Trapping on Single Gold Metal Nanoparticles on TiO2 Luna M; Barawi M; Gómez-Moñivas S; Colchero J; Rodríguez-Peña M; Yang S; Zhao X; Lu Y-H; Chintala R; Reñones P; Altoe V; Martínez L; Huttel Y; Kawasaki S; Weber-Bargioni A; de la Peña ÓShea VA; Yang P; Ashby PD; Salmeron M 2021 Journal Article
Direct electrical modulation of second-order optical susceptibility via phase transitions Wang Y; Xiao J; Chung TF; Nie Z; Yang S; Zhang X 2021 Journal Article
Aqueous Stability of Zirconium Clusters, Including the Zr(IV) Hexanuclear Hydrolysis Complex [Zr6O4(OH)4(H2O)24]12+, from Density Functional Theory Stern RD; Kingsbury RS; Persson KA 2021 Journal Article
Ligand-Free Processable Perovskite Semiconductor Ink Folgueras MC; Louisia S; Jin J; Gao M; Du A; Fakra SC; Zhang R; Seeler F; Schierle-Arndt K; Yang P 2021 Journal Article
Current-induced second harmonic generation in inversion-symmetric Dirac and Weyl semimetals Takasan K; Morimoto T; Orenstein J; Moore JE 2021 Journal Article
Full spectrum optical constant interface to the Materials Project Kas JJ; Vila FD; Pemmaraju CD; Persson KA; Prang PM; Yang RX; Rehr JJ 2021 Journal Article
Exploring the Pb1−xSrxHfO3 System and Potential for High Capacitive Energy Storage Density and Efficiency M. Acharya; E. Banyas; M. Ramesh; Y. Jiang; A. Fernandez; A. Dasgupta; H. Ling; B. Hanrahan; K. Persson; J. B. Neaton; L. W. Martin 2021 Journal Article
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