Characterisation and reactivity of oxygen species at the surface of metal oxides

M Anpo, G Costentin, E Giamello, H Lauron-Pernot… - Journal of …, 2021 - Elsevier
Surface reactive oxygen species play a fundamental role in selective oxidation and
combustion reactions catalyzed by metal oxides. Unravelling the nature of these transient …

Electron transfer at oxide surfaces. The MgO paradigm: from defects to ultrathin films

G Pacchioni, H Freund - Chemical reviews, 2013 - ACS Publications
Electron transfer (ET) is a fundamental process in physics, chemistry, and biology. 1 Charge
transfer determines phenomena like oxidation and reduction, bond activation and bond …

Acetylene Cyclotrimerization on Supported Size-Selected Pdn Clusters (1 ≤ n ≤ 30): One Atom Is Enough!

S Abbet, A Sanchez, U Heiz… - Journal of the …, 2000 - ACS Publications
We studied the cyclotrimerization of acetylene on size-selected Pd n clusters (1≤ n≤ 30)
supported on thin MgO (100) films by thermal desorption and Fourier transform infrared …

Isolated surface hydrides: formation, structure, and reactivity

C Coperet, DP Estes, K Larmier, K Searles - Chemical reviews, 2016 - ACS Publications
Surface hydrides are ubiquitous in catalysis. However, their structures and properties are not
as well-understood as those of their molecular counterparts, which have been extensively …

Relative energies of surface and defect states: ab initio calculations for the MgO (001) surface

PV Sushko, AL Shluger, CRA Catlow - Surface Science, 2000 - Elsevier
We present the results of calculations of the energy levels of defects at the (001) surface of
MgO relative to the top of the valence band and values of defect ionisation potentials and …

EPR characterization and reactivity of surface-localized inorganic radicals and radical ions

M Chiesa, E Giamello, M Che - Chemical reviews, 2010 - ACS Publications
Radicals are chemical species containing one or more unpaired electrons which generally
react via electron pairing or electron transfer mechanisms. A charged radical is called a …

Adsorption on perfect and reduced surfaces of metal oxides

M Calatayud, A Markovits, M Menetrey, B Mguig… - Catalysis Today, 2003 - Elsevier
Two major chemical processes, acidobasic and redox, track the adsorption mechanism on
metal oxides. Molecular and dissociative adsorption on stoichiometric surfaces can be …

Quantum chemistry of oxide surfaces: from CO chemisorption to the identification of the structure and nature of point defects on MgO

G Pacchioni - Surface Review and Letters, 2000 - World Scientific
The electronic structure and chemisorption properties of the surface of ionic crystals are
reviewed, with emphasis on two topics: a critical overview of the experimental and …

Surface structures of oxides and halides and their relationships to catalytic properties

A Zecchina, D Scarano, S Bordiga, G Spoto… - 2001 - Elsevier
In this review, the relationships between structure, morphology, and surface reac-tivity of
microcrystals of oxides and halides are assessed. The investigated systems we discuss …

Ab initio theory of point defects in oxide materials: structure, properties, chemical reactivity

G Pacchioni - Solid State Sciences, 2000 - Elsevier
Point defects play a fundamental role in determining the physical and chemical properties of
inorganic materials. This holds not only for the bulk properties but also for the surface of …