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Theory of Thermal Relaxation of Electrons in Semiconductors

Physical review letters, 2017-09, Vol.119 (13), p.136602-136602, Article 136602

2017

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Understanding, discovery, and synthesis of 2D materials enabled by machine learning

Chemical Society reviews, 2022-03, Vol.51 (6), p.1899-1925

2022

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Machine Learning Force Field Parameters from Ab Initio Data

Journal of chemical theory and computation, 2017-09, Vol.13 (9), p.4492-4503

2017

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Thermal Stability of Colloidal InP Nanocrystals: Small Inorganic Ligands Boost High-Temperature Photoluminescence

ACS nano, 2014-01, Vol.8 (1), p.977-985

2014

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On the Origin of Photoluminescence in Silicon Nanocrystals: Pressure-Dependent Structural and Optical Studies

Nano letters, 2012-08, Vol.12 (8), p.4200-4205

2012

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Data-driven design of novel halide perovskite alloys

Energy & environmental science, 2022-05, Vol.15 (5), p.193-1949

2022

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Infrared-pump electronic-probe of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices

Nature communications, 2019-01, Vol.10 (1), p.482-482, Article 482

2019

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Identifying the Chemical Origin of Oxygen Redox Activity in Li-Rich Anti-Fluorite Lithium Iron Oxide by Experimental and Theoretical X‑ray Absorption Spectroscopy

The journal of physical chemistry letters, 2019-02, Vol.10 (4), p.806-812

2019

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The AXEAP2 program for Kβ X-ray emission spectra analysis using artificial intelligence

Journal of synchrotron radiation, 2023-09, Vol.30 (5), p.923-933

2023

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First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF

ACS applied materials & interfaces, 2015-09, Vol.7 (34), p.18985-18996

2015

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Synthesis of borophane polymorphs through hydrogenation of borophene

Science (American Association for the Advancement of Science), 2021-03, Vol.371 (6534), p.1143-1148

2021

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First Principles Simulations of the Electrochemical Lithiation and Delithiation of Faceted Crystalline Silicon

Journal of the American Chemical Society, 2012-09, Vol.134 (35), p.14362-14374

2012

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AXEAP: a software package for X‐ray emission data analysis using unsupervised machine learning

Journal of synchrotron radiation, 2022-09, Vol.29 (5), p.1309-1317

2022

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Defect Energetics in Pseudo-Cubic Mixed Halide Lead Perovskites from First-Principles

Journal of physical chemistry. C, 2020-08, Vol.124 (31), p.16729-16738

2020

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Imaging Catalytic Activation of CO2 on Cu2O (110): A First-Principles Study

Chemistry of materials, 2018-03, Vol.30 (6), p.1912-1923

2018

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First-Principles Analysis of Defect-Mediated Li Adsorption on Graphene

ACS applied materials & interfaces, 2014-12, Vol.6 (23), p.21141-21150

2014

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Slow Organic-to-Inorganic Sub-Lattice Thermalization in Methylammonium Lead Halide Perovskites Observed by Ultrafast Photoluminescence

Advanced energy materials, 2016-08, Vol.6 (15), p.np-n/a

2016

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Defect Evolution in Graphene upon Electrochemical Lithiation

ACS applied materials & interfaces, 2014-10, Vol.6 (20), p.17626-17636

2014

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Visualizing Redox Dynamics of a Single Ag/AgCl Heterogeneous Nanocatalyst at Atomic Resolution

ACS nano, 2016-03, Vol.10 (3), p.3738-3746

2016

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Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets

The Journal of chemical physics, 2022-03, Vol.156 (11), p.114110-114110

2022

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Mechanistic Investigation of Molybdenum Disulfide Defect Photoluminescence Quenching by Adsorbed Metallophthalocyanines

Journal of the American Chemical Society, 2021-10, Vol.143 (41), p.17153-17161

2021

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Effect of selenium and chlorine co-passivation in polycrystalline CdSeTe devices

Applied physics letters, 2019-10, Vol.115 (15)

2019

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First principles modeling of polymer encapsulant degradation in Si photovoltaic modules

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (17), p.1357-1364

2021

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Atomistic manipulation of reversible oxidation and reduction in Ag with an electron beam

Nanoscale, 2019-06, Vol.11 (22), p.1756-1762

2019

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Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox

Nature energy, 2017-12, Vol.2 (12), p.963-971

2017

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Theory of Thermal Relaxation of Electrons in Semiconductors

Understanding, discovery, and synthesis of 2D materials enabled by machine learning

Machine Learning Force Field Parameters from Ab Initio Data

Thermal Stability of Colloidal InP Nanocrystals: Small Inorganic Ligands Boost High-Temperature Photoluminescence

On the Origin of Photoluminescence in Silicon Nanocrystals: Pressure-Dependent Structural and Optical Studies

Data-driven design of novel halide perovskite alloys

Infrared-pump electronic-probe of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices

Identifying the Chemical Origin of Oxygen Redox Activity in Li-Rich Anti-Fluorite Lithium Iron Oxide by Experimental and Theoretical X‑ray Absorption Spectroscopy

The AXEAP2 program for Kβ X-ray emission spectra analysis using artificial intelligence

First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF

Synthesis of borophane polymorphs through hydrogenation of borophene

First Principles Simulations of the Electrochemical Lithiation and Delithiation of Faceted Crystalline Silicon

AXEAP: a software package for X‐ray emission data analysis using unsupervised machine learning

Defect Energetics in Pseudo-Cubic Mixed Halide Lead Perovskites from First-Principles

Imaging Catalytic Activation of CO2 on Cu2O (110): A First-Principles Study

First-Principles Analysis of Defect-Mediated Li Adsorption on Graphene

Slow Organic-to-Inorganic Sub-Lattice Thermalization in Methylammonium Lead Halide Perovskites Observed by Ultrafast Photoluminescence

Defect Evolution in Graphene upon Electrochemical Lithiation

Visualizing Redox Dynamics of a Single Ag/AgCl Heterogeneous Nanocatalyst at Atomic Resolution

Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets

Mechanistic Investigation of Molybdenum Disulfide Defect Photoluminescence Quenching by Adsorbed Metallophthalocyanines

Effect of selenium and chlorine co-passivation in polycrystalline CdSeTe devices

First principles modeling of polymer encapsulant degradation in Si photovoltaic modules

Atomistic manipulation of reversible oxidation and reduction in Ag with an electron beam

Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox

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