Study of a water-graphene capacitor with molecular density functional theory

Blue Energy and Desalination with Nanoporous Carbon Electrodes: Capacitance from Molecular Simulations to Continuous Models

(2018) Michele Simoncelli et al.   Physical Review X

Efficient molecular density functional theory using generalized spherical harmonics expansions

(2017) Lu Ding et al.   JOURNAL OF CHEMICAL PHYSICS

Capacitive Energy Extraction by Few-Layer Graphene Electrodes

(2017) Cheng Lian et al.   Journal of Physical Chemistry C

Impurity Effects on Charging Mechanism and Energy Storage of Nanoporous Supercapacitors

(2017) Cheng Lian et al.   Journal of Physical Chemistry C

Structure of electric double layers in capacitive systems and to what extent (classical) density functional theory describes it

(2017) Andreas Härtel   JOURNAL OF PHYSICS-CONDENSED MATTER

Molecular density functional theory of water including density–polarization coupling

(2016) Guillaume Jeanmairet et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Dense ionic fluids confined in planar capacitors: in- and out-of-plane structure from classical density functional theory

(2016) Andreas Härtel et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

On the hydrophilicity of electrodes for capacitive energy extraction

(2016) Cheng Lian et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Molecular density functional theory for water with liquid-gas coexistence and correct pressure

(2015) Guillaume Jeanmairet et al.   JOURNAL OF CHEMICAL PHYSICS

Fundamental measure theory for the electric double layer: implications for blue-energy harvesting and water desalination

(2015) Andreas Härtel et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A molecular theory for optimal blue energy extraction by electrical double layer expansion

(2015) Xian Kong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Electric Double Layer Has a Life of Its Own

(2014) Céline Merlet et al.   Journal of Physical Chemistry C

The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy

(2014) J.-J. Velasco-Velez et al.   SCIENCE

Molecular density functional theory of water describing hydrophobicity at short and long length scales

(2013) Guillaume Jeanmairet et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Density Functional Theory of Water

(2013) Guillaume Jeanmairet et al.   Journal of Physical Chemistry Letters

Highly confined ions store charge more efficiently in supercapacitors

(2013) C. Merlet et al.   Nature Communications

Scalar fundamental measure theory for hard spheres in three dimensions: Application to hydrophobic solvation

(2012) Maximilien Levesque et al.   JOURNAL OF CHEMICAL PHYSICS

Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?

(2012) Céline Merlet et al.   Journal of Physical Chemistry Letters

Solvent Effect on the Pore-Size Dependence of an Organic Electrolyte Supercapacitor

(2012) De-en Jiang et al.   Journal of Physical Chemistry Letters

Density functional theory for differential capacitance of planar electric double layers in ionic liquids

(2011) De-en Jiang et al.   CHEMICAL PHYSICS LETTERS

Molecular density functional theory of solvation: From polar solvents to water

(2011) Shuangliang Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

Density Functional Study of the Electric Double Layer Formed by a High Density Electrolyte

(2011) Douglas Henderson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water at an electrochemical interface—a simulation study

(2008) Adam P. Willard et al.   FARADAY DISCUSSIONS