Heterogeneous catalysis

R Schlögl - Angewandte Chemie International Edition, 2015‏ - Wiley Online Library
A heterogeneous catalyst is a functional material that continually creates active sites with its
reactants under reaction conditions. These sites change the rates of chemical reactions of …

Density functional theory for transition metals and transition metal chemistry

CJ Cramer, DG Truhlar - Physical Chemistry Chemical Physics, 2009‏ - pubs.rsc.org
We introduce density functional theory and review recent progress in its application to
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …

What's so hot about electrons in metal nanoparticles?

GV Hartland, LV Besteiro, P Johns… - ACS Energy …, 2017‏ - ACS Publications
Metal nanoparticles are excellent light absorbers. The absorption processes create highly
excited electron–hole pairs, and recently there has been interest in harnessing these hot …

Interparticle coupling effect on the surface plasmon resonance of gold nanoparticles: from theory to applications

SK Ghosh, T Pal - Chemical reviews, 2007‏ - ACS Publications
Nanoscience and nanotechnology are recent revolutionary developments of science and
engineering that are evolving at a very fast pace. They are driven by the desire to fabricate …

Role of hot electrons and metal–oxide interfaces in surface chemistry and catalytic reactions

JY Park, LR Baker, GA Somorjai - Chemical reviews, 2015‏ - ACS Publications
Role of Hot Electrons and Metal–Oxide Interfaces in Surface Chemistry and Catalytic Reactions
| Chemical Reviews Recently Viewedclose modal ACS ACS Publications C&EN CAS Find my …

Ultrafast Modification of Hubbard in a Strongly Correlated Material: Ab initio High-Harmonic Generation in NiO

N Tancogne-Dejean, MA Sentef, A Rubio - Physical review letters, 2018‏ - APS
Engineering effective electronic parameters is a major focus in condensed matter physics.
Their dynamical modulation opens the possibility of creating and controlling physical …

Modeling the kinetics of bimolecular reactions

A Fernández-Ramos, JA Miller, SJ Klippenstein… - Chemical …, 2006‏ - ACS Publications
This review is concerned with the theoretical and computational modeling of bimolecular
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …

Advancing the frontiers in nanocatalysis, biointerfaces, and renewable energy conversion by innovations of surface techniques

GA Somorjai, H Frei, JY Park - Journal of the American Chemical …, 2009‏ - ACS Publications
The challenge of chemistry in the 21st century is to achieve 100% selectivity of the desired
product molecule in multipath reactions (“green chemistry”) and develop renewable energy …

[کتاب][B] Theoretical surface science

A Groß - 2009‏ - Springer
More than five years have passed since the first edition of this book was published. Surface
science is still a very active field of research, and the fact that the Nobel Prize 2007 in …

Experimental demonstration of a single-molecule electric motor

HL Tierney, CJ Murphy, AD Jewell, AE Baber… - Nature …, 2011‏ - nature.com
For molecules to be used as components in molecular machines, methods that couple
individual molecules to external energy sources and that selectively excite motion in a given …