Combined Density Functional Theory and Molecular Dynamics Simulations To Investigate the Effects of Quantum and Double-Layer Capacitances in Functionalized Graphene as the Electrode Material of Aqueous-Based Supercapacitors

Computational Study of the Properties of Acetonitrile/Water-in-Salt Hybrid Electrolytes as Electrolytes for Supercapacitors

(2020) Pedro Inoue et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Density Functional Theory Calculations of the Quantum Capacitance of Graphene Oxide as a Supercapacitor Electrode

(2018) Ce Song et al.   CHEMPHYSCHEM

Quantum Capacitance Estimations of Pyrrolic-Rich Graphene for Supercapacitor Electrodes

(2018) Boddepalli SanthiBhushan et al.   IEEE TRANSACTIONS ON NANOTECHNOLOGY

Metal–Insulator Transition and Heterostructure Formation by Glycines Self-Assembled on Defect-Patterned Graphene

(2018) F. Ersan et al.   Journal of Physical Chemistry C

On the thickness of the double layer in ionic liquids

(2018) Anton Ruzanov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Differential Capacitance and Energetics of the Electrical Double Layer of Graphene Oxide Supercapacitors: Impact of the Oxidation Degree

(2018) Antenor J. Paulista Neto et al.   Journal of Physical Chemistry C

Capacitive Performance of Water-in-Salt Electrolyte in Supercapacitors: A Simulation Study

(2018) Zhujie Li et al.   Journal of Physical Chemistry C

Theoretical Study on the Quantum Capacitance Origin of Graphene Cathodes in Lithium Ion Capacitors

(2018) Fangyuan Su et al.   Catalysts

Kinetic-Dominated Charging Mechanism within Representative Aqueous Electrolyte-based Electric Double-Layer Capacitors

(2017) Huachao Yang et al.   Journal of Physical Chemistry Letters

Charge storage at the nanoscale: understanding the trends from the molecular scale perspective

(2017) Jenel Vatamanu et al.   Journal of Materials Chemistry A

Computational Insights into Materials and Interfaces for Capacitive Energy Storage

(2017) Cheng Zhan et al.   Advanced Science

Electronic structures and quantum capacitance of monolayer and multilayer graphenes influenced by Al, B, N and P doping, and monovacancy: Theoretical study

(2016) Pussana Hirunsit et al.   CARBON

Evaluation of molecular dynamics simulation methods for ionic liquid electric double layers

(2016) Justin B. Haskins et al.   JOURNAL OF CHEMICAL PHYSICS

Computer Simulation Study of Graphene Oxide Supercapacitors: Charge Screening Mechanism

(2016) Sang-Won Park et al.   Journal of Physical Chemistry Letters

Graphene-based materials with tailored nanostructures for energy conversion and storage

(2016) Yingkui Yang et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

Defect and functionalized graphene for supercapacitor electrodes

(2016) Yogita Taluja et al.   SUPERLATTICES AND MICROSTRUCTURES

Quantum Effects on the Capacitance of Graphene-Based Electrodes

(2015) Cheng Zhan et al.   Journal of Physical Chemistry C

Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors

(2015) Jenel Vatamanu et al.   NANOTECHNOLOGY

Heteroatom substituted and decorated graphene: preparation and applications

(2015) Nan Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

"Water-in-salt" electrolyte enables high-voltage aqueous lithium-ion chemistries

(2015) L. Suo et al.   SCIENCE

Nitrogen-Doped Graphene as Electrode Material with Enhanced Energy Density for Next-Generation Supercapacitor Application

(2015) T. Kesavan et al.   ECS Journal of Solid State Science and Technology

On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors

(2014) Clarisse Péan et al.   ACS Nano

Heteroatom-doped graphene materials: syntheses, properties and applications

(2014) Xuewan Wang et al.   CHEMICAL SOCIETY REVIEWS

Evaluation of the constant potential method in simulating electric double-layer capacitors

(2014) Zhenxing Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Nitrogen-Doped Graphene Materials for Supercapacitor Applications

(2014) Yanhong Lu et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Graphene Oxide Supercapacitors: A Computer Simulation Study

(2014) Andrew D. DeYoung et al.   Journal of Physical Chemistry C

Sulfur-Doped Graphene via Thermal Exfoliation of Graphite Oxide in H2S, SO2, or CS2 Gas

(2013) Hwee Ling Poh et al.   ACS Nano

Capacitance enhancement via electrode patterning

(2013) Tuan A. Ho et al.   JOURNAL OF CHEMICAL PHYSICS

On the Origin of the Enhanced Supercapacitor Performance of Nitrogen-Doped Graphene

(2013) Eunsu Paek et al.   Journal of Physical Chemistry C

Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?

(2013) Yang-Xin Yu   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Designing band gap of graphene by B and N dopant atoms

(2012) Pooja Rani et al.   RSC Advances

What is the choice for supercapacitors: graphene or graphene oxide?

(2011) Bin Xu et al.   Energy & Environmental Science

Nitrogen-Doped Graphene for High-Performance Ultracapacitors and the Importance of Nitrogen-Doped Sites at Basal Planes

(2011) Hyung Mo Jeong et al.   NANO LETTERS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY