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List of works by Javier Carrasco

A molecular perspective of water at metal interfaces ⬇️

scientific article published on July 24, 2012

A one-dimensional ice structure built from pentagons

scientific article published on 8 March 2009

Anion π–π Stacking for Improved Lithium Transport in Polymer Electrolytes

scientific article published in 2022

Assessment of van der Waals inclusive density functional theory methods for layered electroactive materials.

scientific article

Atomic-level energy storage mechanism of cobalt hydroxide electrode for pseudocapacitors

scientific article

Atomistic Insight into Glide-Driven Phase Transformations in Layered Oxides for Sodium-Ion Batteries: A Case Study on Na xVO2

scientific article published on 20 March 2019

Atomistic Insight into Ion Transport and Conductivity in Ga/Al-Substituted Li7La3Zr2O12 Solid Electrolytes

scientific article published on 24 December 2018

Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding

scholarly article in Physical Review B, vol. 86 no. 24, December 2012

Bulk and surface oxygen vacancy formation and diffusion in single crystals, ultrathin films, and metal grown oxide structures

scientific article published on 01 August 2006

Chirality at two-dimensional surfaces: A perspective from small molecule alcohol assembly on Au(111)

scientific article published on 01 July 2018

Dry Reforming of Methane on a Highly-Active Ni-CeO2 Catalyst: Effects of Metal-Support Interactions on C-H Bond Breaking.

scientific article published on 4 May 2016

Dynamic Ion Pairs in the Adsorption of Isolated Water Molecules on Alkaline-Earth Oxide (001) Surfaces

scientific article published in Physical Review Letters

Electronic Structure of Sodium Superoxide Bulk, (100) Surface, and Clusters using Hybrid Density Functional: Relevance for Na-O2 Batteries

scientific article published on 18 May 2015

Enhanced Lithium-Ion Conductivity of Polymer Electrolytes by Selective Introduction of Hydrogen into the Anion

scientific article published on 06 February 2019

Enhancing first-principles simulations of complex solid-state ion conductors using topological analysis of procrystal electron density

scientific article published in 2022

First Principles Analysis of the Stability and Diffusion of Oxygen Vacancies in Metal Oxides

scientific article published in Physical Review Letters

First-Principles Study of Sodium Intercalation in Crystalline Na x Si24 (0 ≤ x ≤ 4) as Anode Material for Na-ion Batteries

scientific article published on 13 July 2017

Hydrogen activation, diffusion, and clustering on CeO₂(111): a DFT+U study.

scientific article published in July 2014

Hydrogen-bonded assembly of methanol on Cu(111).

scientific article published on 25 July 2012

In situ and theoretical studies for the dissociation of water on an active Ni/CeO2 catalyst: importance of strong metal-support interactions for the cleavage of O-H bonds

scientific article

Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces

scientific article published in May 2009

Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces ⬇️

scientific article published in February 2014

Investigation of sodium insertion-extraction in olivine NaxFePO4 (0 ≤x≤ 1) using first-principles calculations.

scientific article

Local Investigation of Femtosecond Laser Induced Dynamics of Water Nanoclusters on Cu(111)

scientific article published in Physical Review Letters

Magnetism of NaFePO4 and related polyanionic compounds

scientific article published on 01 May 2018

Manipulation and Control of Hydrogen Bond Dynamics in Absorbed Ice Nanoclusters

scientific article published in Physical Review Letters

Molecular switches from benzene derivatives adsorbed on metal surfaces

scientific article published on January 2013

On the convergence of isolated neutral oxygen vacancy and divacancy properties in metal oxides using supercell models

scientific article published on 01 June 2005

Optical absorption and luminescence energies of F centers in CaO fromab initioembedded cluster calculations

scientific article published on 01 August 2006

Sodium–Oxygen Battery: Steps Toward Reality

scientific article published on 15 March 2016

Structure and energetics of hydrogen-bonded networks of methanol on close packed transition metal surfaces

scientific article published on 01 July 2014

Suppressed Mobility of Negative Charges in Polymer Electrolytes with an Ether-Functionalized Anion

scientific article published on 05 August 2019

The Energy of Hydroxyl Coadsorbed with Water on Pt(111)

article published in 2011

The interplay of covalency, hydrogen bonding, and dispersion leads to a long range chiral network: The example of 2-butanol

scientific article published on March 2016

The role of van der Waals forces in water adsorption on metals

scientific article published on 01 January 2013

To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metals

scientific article published in Physical Review Letters

Trends in water monomer adsorption and dissociation on flat insulating surfaces.

scientific article

Tunable Redox Temperature of a Co3-xMnxO4 (0 ≤ x ≤ 3) Continuous Solid Solution for Thermochemical Energy Storage

scientific article published on 28 January 2020

Ultrahigh Performance All Solid-State Lithium Sulfur Batteries: Salt Anion's Chemistry-Induced Anomalous Synergistic Effect

scientific article published on 30 July 2018

Ultralow-Density Nanocage-Based Metal-Oxide Polymorphs

scientific article published in Physical Review Letters

Unprecedented Improvement of Single Li‐Ion Conductive Solid Polymer Electrolyte Through Salt Additive

Unveiling the electrochemical mechanisms of Li2Fe(SO4)2 polymorphs by neutron diffraction and density functional theory calculations.

scientific article

Variation in surface energy and reduction drive of a metal oxide lithium-ion anode with stoichiometry: a DFT study of lithium titanate spinel surfaces

Vibrational and electron paramagnetic resonance properties of free and MgO supported AuCO complexes

article

Visualization of Hydrogen Bonding and Associated Chirality in Methanol Hexamers

scientific article published in Physical Review Letters

Water-hydroxyl phases on an open metal surface: breaking the ice rules

Weakly Coordinating Fluorine‐Free Polysalt for Single Lithium‐Ion Conductive Solid Polymer Electrolytes

When the reporter induces the effect: unusual IR spectra of CO on Au1/MgO(001)/Mo(001).

scientific article published in April 2006

c(2×2)Water-Hydroxyl Layer on Cu(110): A Wetting Layer Stabilized by Bjerrum Defects

scientific article published in Physical Review Letters

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