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Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry

Proceedings of the National Academy of Sciences - PNAS, 2017-03, Vol.114 (12), p.3050-3055

2017

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Tuning colloidal quantum dot band edge positions through solution-phase surface chemistry modification

Nature communications, 2017-05, Vol.8 (1), p.15257-8, Article 15257

2017

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Performance and Self-Consistency of the Generalized Dielectric Dependent Hybrid Functional

Journal of chemical theory and computation, 2017-07, Vol.13 (7), p.3318-3325

2017

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Colloidal Nanoparticles for Intermediate Band Solar Cells

ACS nano, 2015-07, Vol.9 (7), p.6882-6890

2015

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Design of Heterogeneous Chalcogenide Nanostructures with Pressure-Tunable Gaps and without Electronic Trap States

Nano letters, 2017-04, Vol.17 (4), p.2547-2553

2017

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Defect States and Charge Transport in Quantum Dot Solids

Chemistry of materials, 2017-02, Vol.29 (3), p.1255-1262

2017

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Photo-accelerated fast charging of lithium-ion batteries

Nature communications, 2019-10, Vol.10 (1), p.4946-7, Article 4946

2019

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Generalization of Dielectric-Dependent Hybrid Functionals to Finite Systems

Physical review. X, 2016-10, Vol.6 (4), p.041002, Article 041002

2016

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Enhanced Multiple Exciton Generation in PbS|CdS Janus-like Heterostructured Nanocrystals

ACS nano, 2018-10, Vol.12 (10), p.10084-10094

2018

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Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory

Journal of chemical theory and computation, 2017-06, Vol.13 (6), p.2581-2590

2017

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DMRG on Top of Plane-Wave Kohn–Sham Orbitals: A Case Study of Defected Boron Nitride

Journal of chemical theory and computation, 2021-02, Vol.17 (2), p.1143-1154

2021

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Hydrogen Treatment as a Detergent of Electronic Trap States in Lead Chalcogenide Nanoparticles

Chemistry of materials, 2017-03, Vol.29 (6), p.2485-2493

2017

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A Long‐Cycle‐Life Lithium–CO2 Battery with Carbon Neutrality

Advanced materials (Weinheim), 2019-10, Vol.31 (40), p.e1902518-n/a

2019

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Electron-vibration coupling induced renormalization in the photoemission spectrum of diamondoids

Nature communications, 2016-04, Vol.7 (1), p.11327-11327, Article 11327

2016

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Emergent Electronic and Dielectric Properties of Interacting Nanoparticles at Finite Temperature

Nano letters, 2018-01, Vol.18 (1), p.255-261

2018

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Metal-Insulator Transition in Nanoparticle Solids: Insights from Kinetic Monte Carlo Simulations

Scientific reports, 2017-08, Vol.7 (1), p.7071-7071, Article 7071

2017

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New Class of Electrocatalysts Based on 2D Transition Metal Dichalcogenides in Ionic Liquid

Advanced materials (Weinheim), 2019-01, Vol.31 (4), p.e1804453-n/a

2019

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Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm–Dancoff Approximation

Journal of chemical theory and computation, 2014-08, Vol.10 (8), p.3290-3298

2014

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Optical Absorbance Enhancement in PbS QD/Cinnamate Ligand Complexes

The journal of physical chemistry letters, 2018-06, Vol.9 (12), p.3425-3433

2018

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Designing Janus Ligand Shells on PbS Quantum Dots using Ligand–Ligand Cooperativity

ACS nano, 2019-04, Vol.13 (4), p.3839-3846

2019

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Design of Heterogeneous Chalcogenide Nanostructures with Pressure-Tunable Gaps and without Electronic Trap States

Nano letters, 2017-03, Vol.17 (4)

2017

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Molecular-sized fluorescent nanodiamonds

Nature nanotechnology, 2014-01, Vol.9 (1), p.54-58

2014

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Surface dangling bonds are a cause of B-type blinking in Si nanoparticles

Nanoscale, 2015-02, Vol.7 (8), p.3737-3744

2015

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Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory

The Journal of chemical physics, 2014-08, Vol.141 (6), p.064308-064308

2014

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Germanium nanoparticles with non-diamond core structures for solar energy conversion

Journal of materials chemistry. A, Materials for energy and sustainability, 2014-07, Vol.2 (25), p.9820-9827

2014

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Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry

Tuning colloidal quantum dot band edge positions through solution-phase surface chemistry modification

Performance and Self-Consistency of the Generalized Dielectric Dependent Hybrid Functional

Colloidal Nanoparticles for Intermediate Band Solar Cells

Design of Heterogeneous Chalcogenide Nanostructures with Pressure-Tunable Gaps and without Electronic Trap States

Defect States and Charge Transport in Quantum Dot Solids

Photo-accelerated fast charging of lithium-ion batteries

Generalization of Dielectric-Dependent Hybrid Functionals to Finite Systems

Enhanced Multiple Exciton Generation in PbS|CdS Janus-like Heterostructured Nanocrystals

Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory

DMRG on Top of Plane-Wave Kohn–Sham Orbitals: A Case Study of Defected Boron Nitride

Hydrogen Treatment as a Detergent of Electronic Trap States in Lead Chalcogenide Nanoparticles

A Long‐Cycle‐Life Lithium–CO2 Battery with Carbon Neutrality

Electron-vibration coupling induced renormalization in the photoemission spectrum of diamondoids

Emergent Electronic and Dielectric Properties of Interacting Nanoparticles at Finite Temperature

Metal-Insulator Transition in Nanoparticle Solids: Insights from Kinetic Monte Carlo Simulations

New Class of Electrocatalysts Based on 2D Transition Metal Dichalcogenides in Ionic Liquid

Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm–Dancoff Approximation

Optical Absorbance Enhancement in PbS QD/Cinnamate Ligand Complexes

Designing Janus Ligand Shells on PbS Quantum Dots using Ligand–Ligand Cooperativity

Design of Heterogeneous Chalcogenide Nanostructures with Pressure-Tunable Gaps and without Electronic Trap States

Molecular-sized fluorescent nanodiamonds

Surface dangling bonds are a cause of B-type blinking in Si nanoparticles

Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory

Germanium nanoparticles with non-diamond core structures for solar energy conversion

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