Confinement effects on the solvation structure of solvated alkaline metal cations in a single-digit 1T-MoS2 nanochannel: A first-principles study

Capacitive versus Pseudocapacitive Storage in MXene

(2020) Yasunobu Ando et al.   ADVANCED FUNCTIONAL MATERIALS

Negative dielectric constant of water confined in nanosheets

(2019) Akira Sugahara et al.   Nature Communications

Critical Knowledge Gaps in Mass Transport Through Single-Digit Nanopores: A Review and Perspective

(2019) Samuel J. Faucher et al.   Journal of Physical Chemistry C

Direct Assessment of Nanoconfined Water in 2D Ti3C2 Electrode Interspaces by a Surface Acoustic Technique

(2018) Netanel Shpigel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molybdenum disulfide and water interaction parameters

(2017) Mohammad Heiranian et al.   JOURNAL OF CHEMICAL PHYSICS

The hydration structure of the heavy-alkalines Rb+ and Cs+ through molecular dynamics and X-ray absorption spectroscopy: surface clusters and eccentricity

(2017) Daniel Z. Caralampio et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tunable, Strain-Controlled Nanoporous MoS2 Filter for Water Desalination

(2016) Weifeng Li et al.   ACS Nano

Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations

(2016) Tuan Anh Pham et al.   JOURNAL OF CHEMICAL PHYSICS

Water Permeation and Ion Rejection in Layer-by-Layer Stacked Graphene Oxide Nanochannels: A Molecular Dynamics Simulation

(2016) Haiwei Dai et al.   Journal of Physical Chemistry C

Mechanically delaminated few layered MoS 2 nanosheets based high performance wire type solid-state symmetric supercapacitors

(2016) Karthikeyan Krishnamoorthy et al.   JOURNAL OF POWER SOURCES

Pair correlations that link the hydrophobic and Hofmeister effects

(2016) Quinn Alexander Besford et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Understanding the Intrinsic Water Wettability of Molybdenum Disulfide (MoS2)

(2015) Andrew Kozbial et al.   LANGMUIR

Metallic 1T phase MoS2 nanosheets as supercapacitor electrode materials

(2015) Muharrem Acerce et al.   Nature Nanotechnology

Theoretical characterization of the “ridge” in the supercritical region in the fluid phase diagram of water

(2014) Masaru Matsugami et al.   JOURNAL OF CHEMICAL PHYSICS

Evidence of Conducting Hydrophobic Nanopores Across Membranes in Response to an Electric Field

(2014) François Dehez et al.   Journal of Physical Chemistry C

Desalination via a new membrane capacitive deionization process utilizing flow-electrodes

(2013) Sung-il Jeon et al.   Energy & Environmental Science

Optimized norm-conserving Vanderbilt pseudopotentials

(2013) D. R. Hamann   PHYSICAL REVIEW B

Supercapacitor Electrodes Obtained by Directly Bonding 2D MoS2on Reduced Graphene Oxide

(2013) Edney Geraldo da Silveira Firmiano et al.   Advanced Energy Materials

From microhydration to bulk hydration of Rb+ metal ion: DFT, MP2 and AIMD simulation study

(2012) Anil Boda et al.   JOURNAL OF MOLECULAR LIQUIDS

Profile of the Static Permittivity Tensor of Water at Interfaces: Consequences for Capacitance, Hydration Interaction and Ion Adsorption

(2012) Douwe Jan Bonthuis et al.   LANGMUIR

TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories

(2011) Martin Brehm et al.   Journal of Chemical Information and Modeling

Aqueous NaCl Solutions within Charged Carbon-Slit Pores: Partition Coefficients and Density Distributions from Molecular Dynamics Simulations

(2011) Raja Kirthi Kalluri et al.   Journal of Physical Chemistry C

Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size

(2011) Guang Feng et al.   Journal of Physical Chemistry Letters

Oscillation of Capacitance inside Nanopores

(2011) De-en Jiang et al.   NANO LETTERS

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

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

Membrane capacitive deionization

(2009) P.M. Biesheuvel et al.   JOURNAL OF MEMBRANE SCIENCE

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Relation between the Ion Size and Pore Size for an Electric Double-Layer Capacitor

(2008) Celine Largeot et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Water Confined in Nanotubes and between Graphene Sheets:  A First Principle Study

(2008) Giancarlo Cicero et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Designing Carbon Nanotube Membranes for Efficient Water Desalination

(2007) Ben Corry   JOURNAL OF PHYSICAL CHEMISTRY B