Multifaceted dynamical approach to adsorption in surfaces

Salvador Miret-Artés , R. Martínez Casado , Ángel S. Sanz
CSIC - Instituto de Física Fundamental (IFF)

2010
The CeFe11Ti permanent magnet: a closer look at the microstructure of the compound.

R Martinez-Casado , A Dasmahapatra , M F Sgroi , C Romero-Muñiz
Journal of Physics: Condensed Matter 31 ( 50) 505505 -505505

2
2019
Doping the permanent magnet CeFe11Ti with Co and Ni using ab-initio density functional methods

A Dasmahapatra , R Martinez-Casado , C Romero-Muñiz , MF Sgroi
Physica B: Condensed Matter 620 413241 -413241

4
2021
He-atom scattering from MgO (100): calculating diffraction peak intensities with a semi ab initio potential

R Martinez-Casado , G Mallia , D Usvyat , L Maschio
Phys. Chem. Chem. Phys. 13 ( 32) 14750 -14757

11
2011
2007
A generalized Chudley-Elliott vibration-jump model in activated surface diffusion

R Martinez-Casado , S Miret-Artés , JL Vega , AS Sanz
( cond-mat/0609249)

2006
Ab initio calculation of the MgO(100) interaction with He and Ne: a HF + MP2 and HF + MP2(B3LYP) comparison

Ruth Martinez-Casado , Giuseppe Mallia , Nicholas M. Harrison
Chemical Communications 47 ( 42) 11630 -11632

2
2011
Diffraction of helium on MgO(100) surface calculated from first-principles

Ruth Martinez-Casado , Denis Usvyat , Giuseppe Mallia , Lorenzo Maschio
Physical Chemistry Chemical Physics 16 ( 39) 21106 -21113

11
2014
Approaching an exact treatment of electronic correlations at solid surfaces: The binding energy of the lowest bound state of helium adsorbed on MgO(100)

Ruth Martinez-Casado , Denis Usvyat , Lorenzo Maschio , Giuseppe Mallia
Physical Review B 89 ( 20) 205138

16
2014
First-principles study of the water adsorption on Anatase(101) as a function of the coverage

Ruth Martinez-Casado , Giuseppe Mallia , Nicholas M. Harrison , Rubén Pérez
Journal of Physical Chemistry C 122 ( 36) 20736 -20744

23
2018
An alternative approach for the calculation of correlation energy in periodic systems: a hybrid MP2(B3LYP) study of the He–MgO(100) interaction

Ruth Martinez-Casado , Giuseppe Mallia , Nicholas M. Harrison
Chemical Communications 47 ( 15) 4385 -4387

7
2011
This journal is© the Owner Societies 2014

Ruth Martinez-Casado , Denis Usvyat , Lorenzo Maschio , Giuseppe Mallia

Incoherent tunneling surface diffusion for interacting adsorbates

AS Sanz , R Martınez-Casado , S Miret-Artés

New insights into the luminescence properties of a Na stabilized Ga–Ti oxide homologous series

Javier García-Fernández , Marina García-Carrión , Almudena Torres-Pardo , Ruth Martínez-Casado
Journal of Materials Chemistry C 8 ( 8) 2725 -2731

2
2020
Influence of Cation Substitution on the Complex Structureand Luminescent Properties of the Zn k In 2 O k +3 System

Javier García-Fernández , Almudena Torres-Pardo , Javier Bartolomé , Ruth Martínez-Casado
Chemistry of Materials 32 ( 14) 6176 -6185

2
2020
A hybrid-exchange density functional study of the bonding and electronic structure in bulk CuFeS2

Giuseppe Mallia , Nicholas M. Harrison , Ruth Martínez-Casado , Vincent H.-Y. Chen
Journal of Chemical Physics 144 ( 18) 184702 -184702

9
2016
Understanding the UV luminescence of zinc germanate: the role of native defects

Jaime Dolado , Ruth Martínez-Casado , Pedro Hidalgo , Rafael Gutierrez
Acta Materialia 196 626 -634

10
2020
Stochastic Description of Activated Surface Diffusion with Interacting Adsorbates

Ruth Martínez-Casado , José Luis Vega , Ángel S. Sanz , Salvador Miret-Artés
Frontiers in Quantum Systems in Chemistry and Physics 18 363 -386

2008
Characterizing self-assembled molecular layers on weakly interacting substrates: the role of van der Waals and the chemical interactions

Lucía Rodrigo , Pablo Pou , Ruth Martínez-Casado , Antonio J Martínez-Galera
Nano Futures 2 ( 4) 045002

2
2018