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Atomic Defects in Monolayer Titanium Carbide (Ti3C2T x ) MXene

ACS nano, 2016-10, Vol.10 (10), p.9193-9200

2016

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Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries

ACS nano, 2014-09, Vol.8 (9), p.9606-9615

2014

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Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides

Journal of the American Chemical Society, 2014-04, Vol.136 (17), p.6385-6394

2014

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Deciphering chemical order/disorder and material properties at the single-atom level

Nature (London), 2017-02, Vol.542 (7639), p.75-79

2017

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Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys

Physical review. X, 2015-03, Vol.5 (1), p.011041, Article 011041

2015

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Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces

ACS applied materials & interfaces, 2016-04, Vol.8 (14), p.8859-8863

2016

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Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (1), p.164-175

2016

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Proton Redox and Transport in MXene-Confined Water

ACS applied materials & interfaces, 2020-01, Vol.12 (1), p.763-770

2020

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Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

Journal of chemical theory and computation, 2014-12, Vol.10 (12), p.5318-5323

2014

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Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)

ACS nano, 2015-10, Vol.9 (10), p.9507-9516

2015

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Metal–insulator transition tuned by oxygen vacancy migration across TiO2/VO2 interface

Scientific reports, 2020-10, Vol.10 (1), p.18554-18554, Article 18554

2020

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Understanding the MXene Pseudocapacitance

The journal of physical chemistry letters, 2018-03, Vol.9 (6), p.1223-1228

2018

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Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities

ACS applied materials & interfaces, 2019-07, Vol.11 (28), p.24885-24905

2019

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Investigating the Accuracy of Water Models through the Van Hove Correlation Function

Journal of chemical theory and computation, 2021-10, Vol.17 (10), p.5992-6005

2021

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Toward a predictive theory of correlated materials

Science (American Association for the Advancement of Science), 2018-07, Vol.361 (6400), p.348-354

2018

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Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water

ACS nano, 2017-11, Vol.11 (11), p.11118-11126

2017

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Effects of Surface Terminations of 2D Bi2WO6 on Photocatalytic Hydrogen Evolution from Water Splitting

ACS applied materials & interfaces, 2020-04, Vol.12 (17), p.20067-20074

2020

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In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides

Nature communications, 2018-06, Vol.9 (1), p.2266-9, Article 2266

2018

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Novel boron nitride MXenes as promising energy storage materials

Nanoscale, 2022-06, Vol.14 (25), p.986-996

2022

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Phase stability of TiO2 polymorphs from diffusion Quantum Monte Carlo

New journal of physics, 2016-11, Vol.18 (11), p.113049

2016

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Perspectives on van der Waals Density Functionals: The Case of TiS2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-11, Vol.124 (47), p.9867-9876

2020

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Role of Polytetrahedral Structures in the Elongation and Rupture of Gold Nanowires

ACS nano, 2011-12, Vol.5 (12), p.10065-10073

2011

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Anomalous lattice dynamics near the ferroelectric instability in PbTe

Physical review letters, 2011-10, Vol.107 (17), p.175503-175503, Article 175503

2011

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Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers

Nanoscale horizons, 2016-05, Vol.1 (3), p.227-234

2016

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Reactive Force Field Study of Li/C Systems for Electrical Energy Storage

Journal of chemical theory and computation, 2015-05, Vol.11 (5), p.2156-2166

2015

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Atomic Defects in Monolayer Titanium Carbide (Ti3C2T x ) MXene

Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries

Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides

Deciphering chemical order/disorder and material properties at the single-atom level

Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys

Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces

Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry

Proton Redox and Transport in MXene-Confined Water

Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)

Metal–insulator transition tuned by oxygen vacancy migration across TiO2/VO2 interface

Understanding the MXene Pseudocapacitance

Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities

Investigating the Accuracy of Water Models through the Van Hove Correlation Function

Toward a predictive theory of correlated materials

Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water

Effects of Surface Terminations of 2D Bi2WO6 on Photocatalytic Hydrogen Evolution from Water Splitting

In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides

Novel boron nitride MXenes as promising energy storage materials

Phase stability of TiO2 polymorphs from diffusion Quantum Monte Carlo

Perspectives on van der Waals Density Functionals: The Case of TiS2

Role of Polytetrahedral Structures in the Elongation and Rupture of Gold Nanowires

Anomalous lattice dynamics near the ferroelectric instability in PbTe

Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers

Reactive Force Field Study of Li/C Systems for Electrical Energy Storage

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