Entropy governs the structure and reactivity of water dissociation under electric fields
Fuente:
arXiv
Saved in:
| Main Authors: | Litman, Yair, Michaelides, Angelos |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
How reactive is water at the nanoscale and how to control it?
by: Advincula, Xavier R., et al.
Published: (2025)
by: Advincula, Xavier R., et al.
Published: (2025)
Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces
by: Advincula, Xavier R., et al.
Published: (2025)
by: Advincula, Xavier R., et al.
Published: (2025)
Mechanisms for the Formation of Active Sites in Single-Atom Alloys
by: Karageorgiou, Ioannis, et al.
Published: (2025)
by: Karageorgiou, Ioannis, et al.
Published: (2025)
How Accurate Are DFT Forces? Unexpectedly Large Uncertainties in Molecular Datasets
by: Kuryla, Domantas, et al.
Published: (2025)
by: Kuryla, Domantas, et al.
Published: (2025)
Explaining Principles of Tip-Enhanced Raman Images with Ab Initio Modeling
by: Brezina, Krystof, et al.
Published: (2025)
by: Brezina, Krystof, et al.
Published: (2025)
Protons accumulate at the graphene-water interface
by: Advincula, Xavier R., et al.
Published: (2024)
by: Advincula, Xavier R., et al.
Published: (2024)
When Is Nanoconfined Water Different From Interfacial Water?
by: Advincula, Xavier R., et al.
Published: (2025)
by: Advincula, Xavier R., et al.
Published: (2025)
Interaction between water and carbon nanostructures: How good are current density functional approximations?
by: Brandenburg, Jan Gerit, et al.
Published: (2019)
by: Brandenburg, Jan Gerit, et al.
Published: (2019)
Wetting Transparency of Graphene: A macroscopic Window but Nanoscopic Mirror
by: Wang, Yongkang, et al.
Published: (2025)
by: Wang, Yongkang, et al.
Published: (2025)
CO2 Hydration at the Air-Water Interface: A Surface-Mediated 'In and Out' Mechanism
by: Brookes, Samuel G. H., et al.
Published: (2025)
by: Brookes, Samuel G. H., et al.
Published: (2025)
How Crystalline is Low-Density Amorphous Ice?
by: Davies, Michael Benedict, et al.
Published: (2023)
by: Davies, Michael Benedict, et al.
Published: (2023)
How accurate are simulations and experiments for the lattice energies of molecular crystals?
by: Della Pia, Flaviano, et al.
Published: (2024)
by: Della Pia, Flaviano, et al.
Published: (2024)
Symmetry and reactivity of $π$-systems in electric and magnetic fields: a perspective from conceptual DFT
by: Wibowo-Teale, Meilani, et al.
Published: (2024)
by: Wibowo-Teale, Meilani, et al.
Published: (2024)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
by: O'Neill, Niamh, et al.
Published: (2023)
by: O'Neill, Niamh, et al.
Published: (2023)
Introduction to machine learning potentials for atomistic simulations
by: Thiemann, Fabian L., et al.
Published: (2024)
by: Thiemann, Fabian L., et al.
Published: (2024)
The Wetting of H$_2$O by CO$_2$
by: Brookes, Samuel G. H., et al.
Published: (2024)
by: Brookes, Samuel G. H., et al.
Published: (2024)
Quantum rates in dissipative systems with spatially varying friction
by: Bridge, Oliver, et al.
Published: (2024)
by: Bridge, Oliver, et al.
Published: (2024)
Assessing the dissociation hierarchy of aniline under UV-induced multiphoton ionization
by: Selvaraj, Muthuamirthambal, et al.
Published: (2025)
by: Selvaraj, Muthuamirthambal, et al.
Published: (2025)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
by: Shi, Benjamin X., et al.
Published: (2023)
by: Shi, Benjamin X., et al.
Published: (2023)
Nanoconfined superionic water is a molecular superionic
by: Coles, Samuel W., et al.
Published: (2025)
by: Coles, Samuel W., et al.
Published: (2025)
On the existence of distinct equilibrium configurations under orienting external electric fields
by: Lai, Duc Anh, et al.
Published: (2026)
by: Lai, Duc Anh, et al.
Published: (2026)
Systematic discrepancies between reference methods for non-covalent interactions within the S66 dataset
by: Shi, Benjamin X., et al.
Published: (2024)
by: Shi, Benjamin X., et al.
Published: (2024)
Reevaluating Anomalous Electric Fields at the Air-Water Interface: A Surface-Specific Spectroscopic Survey
by: Shirley, Joseph C., et al.
Published: (2025)
by: Shirley, Joseph C., et al.
Published: (2025)
Polaritonic control of blackbody infrared radiative dissociation
by: Suyabatmaz, Enes, et al.
Published: (2024)
by: Suyabatmaz, Enes, et al.
Published: (2024)
Quantum coherence in dissociative electron attachment: isotope effect
by: Swain, Suvasis, et al.
Published: (2024)
by: Swain, Suvasis, et al.
Published: (2024)
The curious case of CO$_2$ dissociation on Cu(110)
by: Singh, Saurabh Kumar, et al.
Published: (2023)
by: Singh, Saurabh Kumar, et al.
Published: (2023)
An accurate and efficient framework for modelling the surface chemistry of ionic materials
by: Shi, Benjamin X., et al.
Published: (2024)
by: Shi, Benjamin X., et al.
Published: (2024)
Harnessing multi-mode optical structure for chemical reactivity
by: Ke, Yaling, et al.
Published: (2025)
by: Ke, Yaling, et al.
Published: (2025)
How reproducible are first-principles simulations of liquid water?
by: ONeill, Niamh, et al.
Published: (2026)
by: ONeill, Niamh, et al.
Published: (2026)
Ultrafast electron diffractive imaging of the dissociation of pre-excited molecules
by: Xiong, Yanwei, et al.
Published: (2025)
by: Xiong, Yanwei, et al.
Published: (2025)
Multidimensional tunnelling of molecules aligned by strong electric fields
by: Geuther, J. Amira, et al.
Published: (2025)
by: Geuther, J. Amira, et al.
Published: (2025)
A class and home problem on electrolyte transport: constant electric field implies electroneutrality, but electroneutrality does not imply a constant electric field
by: Gupta, Ankur
Published: (2026)
by: Gupta, Ankur
Published: (2026)
Isomer effects on neutral-loss dissociation channels of nitrogen-substituted PAH dications
by: Srivastav, Sumit, et al.
Published: (2025)
by: Srivastav, Sumit, et al.
Published: (2025)
Modified Marrone-Treanor dissociation model: formulation and benchmarking for diatom/atom mixtures
by: Chaudhry, Ross S., et al.
Published: (2025)
by: Chaudhry, Ross S., et al.
Published: (2025)
Strong-field effects in the photo-induced dissociation of the hydrogen molecule on a silver nanoshell
by: Koval, Natalia E., et al.
Published: (2024)
by: Koval, Natalia E., et al.
Published: (2024)
False Metallization in Short-Ranged Machine Learned Interatomic Potentials
by: Parker, Isaac J., et al.
Published: (2026)
by: Parker, Isaac J., et al.
Published: (2026)
Development of machine-learned interatomic potentials to predict structure, transport, and reactivity in platinum-based fuel cells
by: Fazel, Kamron, et al.
Published: (2025)
by: Fazel, Kamron, et al.
Published: (2025)
Isomer-selective dissociation dynamics of 1,2-dibromoethene ionized by femtosecond-laser radiation
by: Mishra, A., et al.
Published: (2025)
by: Mishra, A., et al.
Published: (2025)
Observation of sequential three-body dissociation of camphor molecule -- a native frame approach
by: De, S., et al.
Published: (2024)
by: De, S., et al.
Published: (2024)
Unexpected hydrogen dissociation in thymine: predictions from a novel coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)
by: Kjønstad, Eirik F., et al.
Published: (2024)
Similar Items
-
How reactive is water at the nanoscale and how to control it?
by: Advincula, Xavier R., et al.
Published: (2025) -
Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces
by: Advincula, Xavier R., et al.
Published: (2025) -
Mechanisms for the Formation of Active Sites in Single-Atom Alloys
by: Karageorgiou, Ioannis, et al.
Published: (2025) -
How Accurate Are DFT Forces? Unexpectedly Large Uncertainties in Molecular Datasets
by: Kuryla, Domantas, et al.
Published: (2025) -
Explaining Principles of Tip-Enhanced Raman Images with Ab Initio Modeling
by: Brezina, Krystof, et al.
Published: (2025)