Lista de obras -

(NH4)2S, a highly reactive molecular precursor for low temperature anion exchange reactions in nanoparticles

artículo científico publicado en 2013

A15 Nb3Si: a 'high' Tc superconductor synthesized at a pressure of one megabar and metastable at ambient conditions

artículo científico publicado en 2021

Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials

artículo científico publicado en 2015

Ab initiostudies of Cs on GaAs (100) and (110) surfaces

scholarly article in Physical Review B, vol. 91 no. 3, January 2015

Ab initiosynthesis of single-layer III-V materials

scholarly article in Physical Review B, vol. 89 no. 24, June 2014

Al2O3 as a suitable substrate and a dielectric layer for n-layer MoS2

Augmenting machine learning of energy landscapes with local structural information

artículo científico publicado en 2020

Computational Screening of 2D Materials for Photocatalysis

artículo científico

Computational Study of Low Interlayer Friction in Tin+1Cn (n = 1, 2, and 3) MXene

artículo científico publicado en 2017

Computational characterization of lightweight multilayer MXene Li-ion battery anodes

artículo científico publicado en 2016

Computational discovery and characterization of polymorphic two-dimensional IV–V materials

artículo científico publicado en 2016

Computational discovery of lanthanide doped and Co-doped Y3Al5O12 for optoelectronic applications

Computational discovery of single-layer III-V materials

scholarly article in Physical Review B, vol. 87 no. 16, April 2013

Computational discovery of stable M 2 A X phases

artículo científico publicado en 2016

Computational prediction of two-dimensional group-IV mono-chalcogenides

Computational synthesis of single-layer GaN on refractory materials

Controlling Nanocrystal Superlattice Symmetry and Shape-Anisotropic Interactions through Variable Ligand Surface Coverage

artículo científico publicado en 2011

Correction to “Predicting the Electrochemical Synthesis of 2D Materials from First-Principles”

artículo científico publicado en 2019

Data-augmentation for graph neural network learning of the relaxed energies of unrelaxed structures

artículo científico publicado en 2022

Dynamical properties of AlN nanostructures and heterogeneous interfaces predicted using COMB potentials

artículo científico publicado en 2016

Enhanced Li-S Batteries Using Amine-Functionalized Carbon Nanotubes in the Cathode.

artículo científico publicado en 2015

Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface

artículo científico publicado en 2017

Exploring Periodic Bicontinuous Cubic Network Structures with Complete Phononic Bandgaps

artículo científico publicado en 2017

First-principles investigation of charged dopants and dopant-vacancy defect complexes in monolayer Mo S 2

artículo científico publicado en 2020

Functional form of the superconducting critical temperature from machine learning

artículo científico publicado en 2019

Grand-canonical evolutionary algorithm for the prediction of two-dimensional materials

artículo científico publicado en 2016

High throughput screening of substrates for synthesis and functionalization of 2D materials

Implicit self-consistent electrolyte model in plane-wave density-functional theory

scientific article published on 01 December 2019

Increased activity in hydrogen evolution electrocatalysis for partial anionic substitution in cobalt oxysulfide nanoparticles

artículo científico publicado en 2016

Insights into the Charge-Transfer Stabilization of Heterostructure Components with Unstable Bulk Analogs

artículo científico publicado en 2018

Interface-Driven Structural Distortions and Composition Segregation in Two-Dimensional Heterostructures.

artículo científico publicado en 2017

MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems

artículo científico publicado en 2016

Machine learning of octahedral tilting in oxide perovskites by symbolic classification with compressed sensing

artículo científico publicado en 2020

Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation ⬇️

artículo científico publicado el 21 de noviembre de 2010

Nanocrystal Symmetry Breaking and Accelerated Solid-State Diffusion in the Lead–Cadmium Sulfide Cation Exchange system

artículo científico publicado en 2018

Nanoparticle metamorphosis: an in situ high-temperature transmission electron microscopy study of the structural evolution of heterogeneous Au:Fe2O3 nanoparticles

scientific article published on 05 May 2014

Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution

artículo científico publicado en 2016

Predicting Chiral Nanostructures, Lattices and Superlattices in Complex Multicomponent Nanoparticle Self-Assembly ⬇️

artículo científico publicado el 22 de mayo de 2012

Predicting Nanocrystal Shape through Consideration of Surface-Ligand Interactions ⬇️

artículo científico publicado el 29 de febrero de 2012

Predicting the Electrochemical Synthesis of 2D Materials from First Principles

artículo científico publicado en 2019

Properties of Ti/TiC Interfaces from Molecular Dynamics Simulations

artículo científico publicado en 2016

Role of composition and structure on the properties of metal/multifunctional ceramic interfaces

article

Role of magnetism on transition metal oxide surfaces in vacuum and solvent

artículo científico publicado en 2020

Scalable Substitutional Re-Doping and its Impact on the Optical and Electronic Properties of Tungsten Diselenide

scientific article published on 09 November 2020

Scaling relation for thermal ripples in single and multilayer graphene

scholarly article in Physical Review B, vol. 87 no. 9, March 2013

Silver delafossite nitride, AgTaN2?

Softened elastic response and unzipping in chemical vapor deposition graphene membranes.

artículo científico publicado en 2011

Solid-solid phase transformations induced through cation exchange and strain in 2D heterostructured copper sulfide nanocrystals.

artículo científico publicado en 2014

Split-vacancy defect complexes of oxygen in hcp and fcc cobalt

artículo científico publicado en 2020

Stability and magnetism of strongly correlated single-layer VS 2

artículo científico publicado en 2016

Stability of charged sulfur vacancies in 2D and bulk MoS 2 from plane-wave density functional theory with electrostatic corrections

artículo científico publicado en 2020

Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2

artículo científico publicado en 2016

Structural Changes in 2D BiSe Bilayers as n Increases in (BiSe)1+δ(NbSe2)n (n = 1-4) Heterostructures

artículo científico publicado en 2016

Synthesis of borophane polymorphs through hydrogenation of borophene

artículo científico publicado en 2021

The 2021 room-temperature superconductivity roadmap

artículo científico publicado en 2022

The nanocrystal superlattice pressure cell: a novel approach to study molecular bundles under uniaxial compression

artículo científico publicado en 2014

Three-Dimensionally Isotropic Negative Refractive Index Materials from Block Copolymer Self-Assembled Chiral Gyroid Networks

artículo científico publicado en 2011

Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials

artículo científico publicado en 2017

Two-Dimensional Intrinsic Half-Metals With Large Spin Gaps

artículo científico publicado en 2017

Unintended phosphorus doping of nickel nanoparticles during synthesis with TOP: a discovery through structural analysis.

artículo científico publicado en 2012

van der Waals Epitaxial Growth of Graphene on Sapphire by Chemical Vapor Deposition without a Metal Catalyst

artículo científico publicado en 2012

Lista de obras de

(NH4)2S, a highly reactive molecular precursor for low temperature anion exchange reactions in nanoparticles

A15 Nb3Si: a 'high' Tc superconductor synthesized at a pressure of one megabar and metastable at ambient conditions

Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials

Ab initiostudies of Cs on GaAs (100) and (110) surfaces

Ab initiosynthesis of single-layer III-V materials

Al2O3 as a suitable substrate and a dielectric layer for n-layer MoS2

Augmenting machine learning of energy landscapes with local structural information

Computational Screening of 2D Materials for Photocatalysis

Computational Study of Low Interlayer Friction in Tin+1Cn (n = 1, 2, and 3) MXene

Computational characterization of lightweight multilayer MXene Li-ion battery anodes

Computational discovery and characterization of polymorphic two-dimensional IV–V materials

Computational discovery of lanthanide doped and Co-doped Y3Al5O12 for optoelectronic applications

Computational discovery of single-layer III-V materials

Computational discovery of stable M 2 A X phases

Computational prediction of two-dimensional group-IV mono-chalcogenides

Computational synthesis of single-layer GaN on refractory materials

Controlling Nanocrystal Superlattice Symmetry and Shape-Anisotropic Interactions through Variable Ligand Surface Coverage

Correction to “Predicting the Electrochemical Synthesis of 2D Materials from First-Principles”

Data-augmentation for graph neural network learning of the relaxed energies of unrelaxed structures

Dynamical properties of AlN nanostructures and heterogeneous interfaces predicted using COMB potentials

Enhanced Li-S Batteries Using Amine-Functionalized Carbon Nanotubes in the Cathode.

Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface

Exploring Periodic Bicontinuous Cubic Network Structures with Complete Phononic Bandgaps

First-principles investigation of charged dopants and dopant-vacancy defect complexes in monolayer Mo S 2

Functional form of the superconducting critical temperature from machine learning

Grand-canonical evolutionary algorithm for the prediction of two-dimensional materials

High throughput screening of substrates for synthesis and functionalization of 2D materials

Implicit self-consistent electrolyte model in plane-wave density-functional theory

Increased activity in hydrogen evolution electrocatalysis for partial anionic substitution in cobalt oxysulfide nanoparticles

Insights into the Charge-Transfer Stabilization of Heterostructure Components with Unstable Bulk Analogs

Interface-Driven Structural Distortions and Composition Segregation in Two-Dimensional Heterostructures.

MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems

Machine learning of octahedral tilting in oxide perovskites by symbolic classification with compressed sensing

Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation ⬇️

Nanocrystal Symmetry Breaking and Accelerated Solid-State Diffusion in the Lead–Cadmium Sulfide Cation Exchange system

Nanoparticle metamorphosis: an in situ high-temperature transmission electron microscopy study of the structural evolution of heterogeneous Au:Fe2O3 nanoparticles

Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution

Predicting Chiral Nanostructures, Lattices and Superlattices in Complex Multicomponent Nanoparticle Self-Assembly ⬇️

Predicting Nanocrystal Shape through Consideration of Surface-Ligand Interactions ⬇️

Predicting the Electrochemical Synthesis of 2D Materials from First Principles

Properties of Ti/TiC Interfaces from Molecular Dynamics Simulations

Role of composition and structure on the properties of metal/multifunctional ceramic interfaces

Role of magnetism on transition metal oxide surfaces in vacuum and solvent

Scalable Substitutional Re-Doping and its Impact on the Optical and Electronic Properties of Tungsten Diselenide

Scaling relation for thermal ripples in single and multilayer graphene

Silver delafossite nitride, AgTaN2?

Softened elastic response and unzipping in chemical vapor deposition graphene membranes.

Solid-solid phase transformations induced through cation exchange and strain in 2D heterostructured copper sulfide nanocrystals.

Split-vacancy defect complexes of oxygen in hcp and fcc cobalt

Stability and magnetism of strongly correlated single-layer VS 2

Stability of charged sulfur vacancies in 2D and bulk MoS 2 from plane-wave density functional theory with electrostatic corrections

Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2

Structural Changes in 2D BiSe Bilayers as n Increases in (BiSe)1+δ(NbSe2)n (n = 1-4) Heterostructures

Synthesis of borophane polymorphs through hydrogenation of borophene

The 2021 room-temperature superconductivity roadmap

The nanocrystal superlattice pressure cell: a novel approach to study molecular bundles under uniaxial compression

Three-Dimensionally Isotropic Negative Refractive Index Materials from Block Copolymer Self-Assembled Chiral Gyroid Networks

Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials

Two-Dimensional Intrinsic Half-Metals With Large Spin Gaps

Unintended phosphorus doping of nickel nanoparticles during synthesis with TOP: a discovery through structural analysis.

van der Waals Epitaxial Growth of Graphene on Sapphire by Chemical Vapor Deposition without a Metal Catalyst