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 …
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 …
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …
What's so hot about electrons in metal nanoparticles?
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 …
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
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 …
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
Role of Hot Electrons and Metal–Oxide Interfaces in Surface Chemistry and Catalytic
Reactions | Chemical Reviews ACS ACS Publications C&EN CAS Find my institution Log In …
Reactions | Chemical Reviews ACS ACS Publications C&EN CAS Find my institution Log In …
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 …
product molecule in multipath reactions (“green chemistry”) and develop renewable energy …
Modeling the kinetics of bimolecular reactions
This review is concerned with the theoretical and computational modeling of bimolecular
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …
Ultrafast Modification of Hubbard in a Strongly Correlated Material: Ab initio High-Harmonic Generation in NiO
Engineering effective electronic parameters is a major focus in condensed matter physics.
Their dynamical modulation opens the possibility of creating and controlling physical …
Their dynamical modulation opens the possibility of creating and controlling physical …
Theoretical surface science
A Gross - A Microscopic Perspective. Originally published in the …, 2003 - 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 …
science is still a very active field of research, and the fact that the Nobel Prize 2007 in …
Quantum simulation of exact electron dynamics can be more efficient than classical mean-field methods
Quantum algorithms for simulating electronic ground states are slower than popular
classical mean-field algorithms such as Hartree–Fock and density functional theory but offer …
classical mean-field algorithms such as Hartree–Fock and density functional theory but offer …