Garvit Agarwal

Argonne National Laboratory

H指数:17

被引数:912

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Dynamic Electronic Coupling in the Self-Exchange Charge Transfer Reaction of Benzothiadiazole Redoxmer in Acetonitrile Calculated with Constrained Density Functional Theory

约束密度泛函理论计算的乙腈中苯并噻二唑Redoxmer自交换电荷转移反应中的动态电子耦合

The Journal of Physical Chemistry A

IF2.8

2026-02-040

PRE

Insights into electrolyte reactivity at the Li metal surface from density functional theory

从密度泛函理论获得的关于电解质在锂金属表面的反应性的见解

Computational Materials Science

IF3.3

2025-10-220

PRE

Designer Fluorescent Redoxmer Self-Reports Side Reactions in Nonaqueous Redox Flow Batteries

BATTERIES & SUPERCAPS

IF4.7

2024-11-210

PRE

Robust and effective ab initio molecular dynamics simulations on the GPU cloud infrastructure using the Schrodinger Materials Science Suite

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2024-09-010

OAAI

Stable, Impermeable Hexacyanoferrate Anolyte for Nonaqueous Redox Flow Batteries

用于非水氧化还原液流电池的稳定，不可渗透的六氰合铁酸盐阳极电解液

ACS ENERGY LETTERS

IF18.2

2024-08-060

PRE

Emergent solvation phenomena in non-aqueous electrolytes with multiple anions

具有多种阴离子的非水电解质中出现的溶剂化现象

CHEM

IF19.6

2023-07-0114

OAAI

Colocalized Raman spectroscopy-scanning electrochemical microscopy investigation of redox flow battery dialkoxybenzene redoxmer degradation pathways

氧化还原液流电池二烷氧基苯redoxmer降解途径的共位拉曼光谱-扫描电化学显微镜研究

ELECTROCHIMICA ACTA

IF5.6

2023-04-013

OAAI

Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2023-01-3013

High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations

用于液体电解质模拟的高维神经网络潜力

JOURNAL OF PHYSICAL CHEMISTRY B

IF2.9

2022-08-1626

PRE

Fluorination Enables Simultaneous Improvements of a Dialkoxybenzene-Based Redoxmer for Nonaqueous Redox Flow Batteries

氟化可以同时改进用于非水氧化还原液流电池的基于二烷氧基苯的Redoxmer

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2022-06-163

Interactions of CO2 Anion Radicals with Electrolyte Environments from First-Principles Simulations

ACS OMEGA

IF4.3

2022-05-178

OAAI

Experimental Protocols for Studying Organic Non-aqueous Redox Flow Batteries

ACS ENERGY LETTERS

IF18.2

2021-10-1836

Discovery of Energy Storage Molecular Materials Using Quantum Chemistry-Guided Multiobjective Bayesian Optimization

CHEMISTRY OF MATERIALS

IF7

2021-10-1439

PREAI

Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Ab Initio Molecular Dynamics Simulations

从头算分子动力学模拟对镁金属阳极表面自发固体电解质相间形成的见解

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2021-08-0621

TEMPO allegro: liquid catholyte redoxmers for nonaqueous redox flow batteries

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2021-01-0119

PRE

Critical role of structural order in bipolar redox-active molecules for organic redox flow batteries

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2021-01-0113

Fluorescence-Enabled Self-Reporting for Redox Flow Batteries

ACS ENERGY LETTERS

IF18.2

2020-08-079

PREAI

Anion Association Strength as a Unifying Descriptor for the Reversibility of Divalent Metal Deposition in Nonaqueous Electrolytes

阴离子缔合强度作为非水电解质中二价金属沉积可逆性的统一描述符

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2020-07-1527

OAAI

Molecular Structure and Electron Affinity of Metal-Solvent Complexes: Insights from Density Functional Theory Simulations

金属-溶剂配合物的分子结构和电子亲和力: 密度泛函理论模拟的见解

JOURNAL OF THE ELECTROCHEMICAL SOCIETY

IF3.3

2020-06-237

PREAI

Quantum Chemistry-Informed Active Learning to Accelerate the Design and Discovery of Sustainable Energy Storage Materials

CHEMISTRY OF MATERIALS

IF7

2020-05-2861

OAAI

Garvit Agarwal

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