Chemical pressure and vacancies in crystals under nonhydrostatic stress
(2026)
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs–Duhem equation and adsorption
The Journal of chemical physics
(2025)
163
114702
(doi: 10.1063/5.0283508)
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
(2025)
On the chemical potential and grand potential density of solids under non-hydrostatic stress
Molecular Physics
(2024)
123
e2441390
Electronic Response and Charge Inversion at Polarized Gold Electrode
Angewandte Chemie
(2024)
137
e202413614
(doi: 10.1002/ange.202413614)
Electronic Response and Charge Inversion at Polarized Gold Electrode.
Angewandte Chemie International Edition
(2024)
64
e202413614
(doi: 10.1002/anie.202413614)
On the chemical potential and grand potential density of solids under non-hydrostatic stress
(2024)
Chemomechanical equilibrium at the interface between a simple elastic solid and its liquid phase.
Journal of Chemical Physics
(2021)
155
244701
(doi: 10.1063/5.0073316)
Computational Amperometry of Nanoscale Capacitors in Molecular Simulations.
The journal of physical chemistry letters
(2021)
12
4357
(doi: 10.1021/acs.jpclett.1c01131)
Electric-field-based Poisson-Boltzmann theory: Treating mobile charge as polarization.
Physical Review E: Statistical, Nonlinear, and Soft Matter Physics
(2021)
103
022803
(doi: 10.1103/physreve.103.022803)
Continuum model of the simple dielectric fluid: consistency between density based and continuum mechanics methods
Molecular Physics: An International Journal at the Interface Between Chemistry and Physics
(2021)
119
e1887950
Computing Surface Acidity Constants of Proton Hopping Groups from Density Functional Theory-Based Molecular Dynamics: Application to the SnO2(110)/H2O Interface
Journal of chemical theory and computation
(2020)
16
6520
(doi: 10.1021/acs.jctc.0c00021)
Thermodynamic Investigation of Proton/Electron Interplay on the Pourbaix Diagram at the TiO2/Electrolyte Interface
The Journal of Physical Chemistry C
(2020)
124
19003
(doi: 10.1021/acs.jpcc.0c03546)
Modelling electrochemical systems with finite field molecular dynamics
Jphys Energy
(2020)
2
032005
(doi: 10.1088/2515-7655/ab9d8c)
Band positions of anatase (001) and (101) surfaces in contact with water from density functional theory
Journal of Chemical Physics
(2020)
152
194706
(doi: 10.1063/5.0004779)
Band Positions of Anatase (001) and (101) Surfaces in Contact with Water from Density Functional Theory
(2020)
Band Positions of Anatase (001) and (101) Surfaces in Contact with Water from Density Functional Theory
(2020)
(doi: 10.26434/chemrxiv.12263837)
Electromechanics of the liquid water vapour interface.
Physical chemistry chemical physics : PCCP
(2020)
22
10676
(doi: 10.1039/c9cp06901a)
Simulating Electrochemical Systems by Combining the Finite Field Method with a Constant Potential Electrode.
Physical review letters
(2019)
123
195501
Finite field formalism for bulk electrolyte solutions
The Journal of Chemical Physics
(2019)
151
064506
(doi: 10.1063/1.5099207)
