Molecular origin of negative component of Helmholtz capacitance at electrified Pt(111)/water interface

Electrochemical CO Reduction: A property of the electrochemical interface

(2019) Alexander Bagger et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

In situ probing electrified interfacial water structures at atomically flat surfaces

(2019) Chao-Yu Li et al.   NATURE MATERIALS

Double Layer of Pt(111)-Aqueous Electrolyte Interface: Potential of Zero Charge and Anomalous Gouy-Chapman Screening

(2019) Kasinath Ojha et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Peroxodisulfate reduction as a probe to interfacial charge

(2018) Ricardo Martínez-Hincapié et al.   ELECTROCHEMISTRY COMMUNICATIONS

Double layer of platinum electrodes: Non-monotonic surface charging phenomena and negative double layer capacitance

(2018) Jun Huang et al.   JOURNAL OF CHEMICAL PHYSICS

The structure of metal-water interface at the potential of zero charge from density functional theory-based molecular dynamics

(2018) Jiabo Le et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Atomic-Scale Simulation of Electrochemical Processes at Electrode/Water Interfaces under Referenced Bias Potential

(2018) Assil Bouzid et al.   Journal of Physical Chemistry Letters

Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH

(2018) Tao Cheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical insight into the vibrational spectra of metal–water interfaces from density functional theory based molecular dynamics

(2018) Jiabo Le et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The electric double layer at metal-water interfaces revisited based on a charge polarization scheme

(2018) Sung Sakong et al.   JOURNAL OF CHEMICAL PHYSICS

OH formation and H2 adsorption at the liquid water–Pt(111) interface

(2018) Henrik H. Kristoffersen et al.   Chemical Science

First-Principles Simulations of an Aqueous CO/Pt(111) Interface

(2018) Jinggang Lan et al.   Journal of Physical Chemistry C

Synthesis and assembly of colloidal cuboids with tunable shape biaxiality

(2018) Yang Yang et al.   Nature Communications

Determining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamics

(2017) Jiabo Le et al.   PHYSICAL REVIEW LETTERS

Interfacial water reorganization as a pH-dependent descriptor of the hydrogen evolution rate on platinum electrodes

(2017) Isis Ledezma-Yanez et al.   Nature Energy

Efficient storage mechanisms for building better supercapacitors

(2016) M. Salanne et al.   Nature Energy

Towards the understanding of the interfacial pH scale at Pt(1 1 1) electrodes

(2015) Rubén Rizo et al.   ELECTROCHIMICA ACTA

Crystallization by particle attachment in synthetic, biogenic, and geologic environments

(2015) J. J. De Yoreo et al.   SCIENCE

Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics

(2014) Jun Cheng et al.   ACCOUNTS OF CHEMICAL RESEARCH

The partial charge transfer

(2014) Wolfgang Schmickler et al.   ELECTROCHIMICA ACTA

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

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

Direct observation of the oxygenated species during oxygen reduction on a platinum fuel cell cathode

(2013) Hernan Sanchez Casalongue et al.   Nature Communications

A molecular perspective of water at metal interfaces

(2012) Javier Carrasco et al.   NATURE MATERIALS

On the molecular origin of supercapacitance in nanoporous carbon electrodes

(2012) Céline Merlet et al.   NATURE MATERIALS

Alignment of electronic energy levels at electrochemical interfaces

(2012) Jun Cheng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Properties of metal–water interfaces studied from first principles

(2009) Sebastian Schnur et al.   NEW JOURNAL OF PHYSICS

Modeling the electrified solid–liquid interface

(2008) Jan Rossmeisl et al.   CHEMICAL PHYSICS LETTERS

Structure of the water/platinum interface––a first principles simulation under bias potential

(2008) Minoru Otani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory

(2008) Ryosuke Jinnouchi et al.   PHYSICAL REVIEW B