A Finite Cluster Approach to an Extended Transition Metal Oxide: A Wave Function Based Study-Reference-Cited by-同舟云学术

A Finite Cluster Approach to an Extended Transition Metal Oxide: A Wave Function Based Study

Published:2011-08-16 Issue:35 Volume:115 Page:17540-17557
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

de Lara-Castells María Pilar¹,Mitrushchenkov Alexander O.²

Affiliation:

1. Instituto de Física Fundamental (C.S.I.C.), Serrano 123, E-28006, Madrid, Spain

2. Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée, France

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp203654m

Reference92 articles.

1. Photochemistry on TiO2: Mechanisms behind the surface chemistry

2. Lagunas, A. R.InAbstracts of the 1st International Workshop on Molecular Photoreactivity on metal-oxide surfaces (FPMPMO-2009);de Lara-Castells, M. P.; Aguirre, N. F.; López-Durán, D.; Mateo, J. O.; Mitrushchenkov, A. O., Eds.Vision Netware:Madrid, 2009; pp17, ISBN:9788498868807.

3. Photodesorption of diatomic molecules from surfaces: A theoretical approach based on first principles

4. Understanding Surface Photochemistry from First Principles: The Case of CO-NiO(100)

5. Adsorption and nonadiabatic processes in the photodesorption of molecular oxygen from the reduced TiO2(110) surface

Cited by 13 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. An Ab Initio Journey toward the Molecular‐Level Understanding and Predictability of Subnanometric Metal Clusters;Small Structures;2024-06-30

2. High‐level ab initio evidence of bipyramidal Cu₅ clusters as fluxional Jahn‐Teller molecules;ChemPhysChem;2023-08-15

3. First-principles modelling of the new generation of subnanometric metal clusters: Recent case studies;Journal of Colloid and Interface Science;2022-04

4. New tools for the astrochemist: Multi-scale computational modelling and helium droplet-based spectroscopy;Physics of Life Reviews;2020-03

5. Ab initio design of light absorption through silver atomic cluster decoration of TiO2;Physical Chemistry Chemical Physics;2018