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Ab initio study of the operating mechanisms of tris(trimethylsilyl) phosphite as a multifunctional additive for Li-ion batteries

Journal of power sources, 2017-07, Vol.355, p.154-163

2017

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Additional Lithium Storage on Dynamic Electrode Surface by Charge Redistribution in Inactive Ru Metal

Small (Weinheim an der Bergstrasse, Germany), 2020-01, Vol.16 (1), p.e1905868-n/a

2020

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Combinatorial Search for High-Activity Hydrogen Catalysts Based on Transition-Metal-Embedded Graphitic Carbons

Advanced energy materials, 2015-12, Vol.5 (23), p.np-n/a

2015

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Combinatorial search for optimal hydrogen-storage nanomaterials based on polymers

Physical review letters, 2006-08, Vol.97 (5), p.056104-056104, Article 056104

2006

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Exceptional Lithium Storage in a Co(OH)2 Anode: Hydride Formation

ACS nano, 2018-03, Vol.12 (3), p.2909-2921

2018

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Switchable Chemical‐Bond Reorganization for the Stable Charge Trapping in Amorphous Silicon Nitride

Advanced materials (Weinheim), 2024-03, Vol.36 (9), p.e2308054-n/a

2024

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On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide

Journal of computational chemistry, 2023-04, Vol.44 (10), p.1052-1063

2023

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Reductive reactions via excess Li in mixture electrolytes of Li ion batteries: an ab initio molecular dynamics study

Physical chemistry chemical physics : PCCP, 2019-03, Vol.21 (10), p.5489-5498

2019

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Direct observation of pseudocapacitive sodium storage behavior in molybdenum dioxide anodes

Journal of power sources, 2018-09, Vol.397, p.113-123

2018

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Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte Additive

International journal of molecular sciences, 2022-07, Vol.23 (13), p.7328

2022

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Thermal conductance at atomically clean and disordered silicon/aluminum interfaces: A molecular dynamics simulation study

Journal of applied physics, 2012-09, Vol.112 (5)

2012

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Enhanced dihydrogen adsorption in symmetry-lowered metal-porphyrin-containing frameworks

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (48), p.11400-11403

2009

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Site-Dependent Free Energy Barrier for Proton Reduction on MoS2 Edges

Journal of physical chemistry. C, 2013-10, Vol.117 (42), p.21772-21777

2013

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Electrical transport in small bundles of single-walled carbon nanotubes: Intertube interaction and effects of tube deformation

Applied physics letters, 2010-04, Vol.96 (17), p.173107-173107-3

2010

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Hydrogen-Bond Dynamics of Water at the Interface with InP/GaP(001) and the Implications for Photoelectrochemistry

Journal of the American Chemical Society, 2013-10, Vol.135 (42), p.15774-15783

2013

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Surface Chemistry of GaP(001) and InP(001) in Contact with Water

Journal of physical chemistry. C, 2014-01, Vol.118 (2), p.1062-1070

2014

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Strain and temperature-dependent dielectric permittivity of cubic SrTiO3: Self-consistent phonon theory calculations

Current Applied Physics, 2021, 29(0), , pp.78-82

2021

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Nanoscale Chemical and Electrical Stabilities of Graphene-covered Silver Nanowire Networks for Transparent Conducting Electrodes

Scientific reports, 2016-09, Vol.6 (1), p.33074-33074, Article 33074

2016

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l‑Tryptophan: Antioxidant as a Film-Forming Additive for a High-Voltage Cathode

Langmuir, 2020-03, Vol.36 (11), p.2823-2828

2020

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Reductive reactions via excess Li in mixture electrolytes of Li ion batteries: an ab initio molecular dynamics studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp04907f

2019-03

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Ab initio study of dihydrogen binding in metal-decorated polyacetylene for hydrogen storage

Physical review. B, Condensed matter and materials physics, 2007-11, Vol.76 (19), Article 195110

2007

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Site-Dependent Free Energy Barrier for Proton Reduction on MoS 2 Edges

Journal of physical chemistry. C, 2013-10, Vol.117 (42), p.21772-21777

2013

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Ab-initio prediction of temperature-dependent dielectric constants and curie temperatures of cubic phase perovskite materials

MRS communications, 2021-08, Vol.11 (4), p.436-442

2021

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Structural-Stability Study of Antiperovskite Na 3 O Cl for Na -Rich Solid Electrolyte

Physical review applied, 2023-03, Vol.19 (3), Article 034004

2023

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Modification of the electronic structure in a carbon nanotube with the charge dopant encapsulation

Applied physics letters, 2008-05, Vol.92 (19)

2008

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Ab initio study of the operating mechanisms of tris(trimethylsilyl) phosphite as a multifunctional additive for Li-ion batteries

Additional Lithium Storage on Dynamic Electrode Surface by Charge Redistribution in Inactive Ru Metal

Combinatorial Search for High-Activity Hydrogen Catalysts Based on Transition-Metal-Embedded Graphitic Carbons

Combinatorial search for optimal hydrogen-storage nanomaterials based on polymers

Exceptional Lithium Storage in a Co(OH)2 Anode: Hydride Formation

Switchable Chemical‐Bond Reorganization for the Stable Charge Trapping in Amorphous Silicon Nitride

On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide

Reductive reactions via excess Li in mixture electrolytes of Li ion batteries: an ab initio molecular dynamics study

Direct observation of pseudocapacitive sodium storage behavior in molybdenum dioxide anodes

Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte Additive

Thermal conductance at atomically clean and disordered silicon/aluminum interfaces: A molecular dynamics simulation study

Enhanced dihydrogen adsorption in symmetry-lowered metal-porphyrin-containing frameworks

Site-Dependent Free Energy Barrier for Proton Reduction on MoS2 Edges

Electrical transport in small bundles of single-walled carbon nanotubes: Intertube interaction and effects of tube deformation

Hydrogen-Bond Dynamics of Water at the Interface with InP/GaP(001) and the Implications for Photoelectrochemistry

Surface Chemistry of GaP(001) and InP(001) in Contact with Water

Strain and temperature-dependent dielectric permittivity of cubic SrTiO3: Self-consistent phonon theory calculations

Nanoscale Chemical and Electrical Stabilities of Graphene-covered Silver Nanowire Networks for Transparent Conducting Electrodes

l‑Tryptophan: Antioxidant as a Film-Forming Additive for a High-Voltage Cathode

Reductive reactions via excess Li in mixture electrolytes of Li ion batteries: an ab initio molecular dynamics studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp04907f

Ab initio study of dihydrogen binding in metal-decorated polyacetylene for hydrogen storage

Site-Dependent Free Energy Barrier for Proton Reduction on MoS 2 Edges

Ab-initio prediction of temperature-dependent dielectric constants and curie temperatures of cubic phase perovskite materials

Structural-Stability Study of Antiperovskite Na 3 O Cl for Na -Rich Solid Electrolyte

Modification of the electronic structure in a carbon nanotube with the charge dopant encapsulation

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