A review on the use of DFT for the prediction of the properties of nanomaterials
Nanostructured materials have gained immense attraction because of their extraordinary
properties compared to the bulk materials to be used in a plethora of applications in myriad …
properties compared to the bulk materials to be used in a plethora of applications in myriad …
Catalysis by clusters with precise numbers of atoms
EC Tyo, S Vajda - Nature nanotechnology, 2015 - nature.com
Clusters that contain only a small number of atoms can exhibit unique and often unexpected
properties. The clusters are of particular interest in catalysis because they can act as …
properties. The clusters are of particular interest in catalysis because they can act as …
Approaches for understanding and controlling interfacial effects in oxide-supported metal catalysts
Heterogeneous supported metal catalysts are critical for a wide range of chemical
conversion technologies. While the fundamental properties of extended metal surfaces are …
conversion technologies. While the fundamental properties of extended metal surfaces are …
Molecular semiconductors for logic operations: dead‐end or bright future?
The field of organic electronics has been prolific in the last couple of years, leading to the
design and synthesis of several molecular semiconductors presenting a mobility in excess of …
design and synthesis of several molecular semiconductors presenting a mobility in excess of …
Switching of metal–oxygen hybridization for selective CO2 electrohydrogenation under mild temperature and pressure
Artificial carbon fixation contributes to closing the anthropogenic carbon cycle. However,
large-scale conversion of CO2 into selective products remains a challenge. Coupled thermal …
large-scale conversion of CO2 into selective products remains a challenge. Coupled thermal …
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 …
Theoretical chemistry of gold
P Pyykkö - Angewandte Chemie International Edition, 2004 - Wiley Online Library
Theoretical Chemistry of Gold - Pyykkö - 2004 - Angewandte Chemie International Edition - Wiley
Online Library Skip to Article Content Skip to Article Information Wiley Online Library Wiley …
Online Library Skip to Article Content Skip to Article Information Wiley Online Library Wiley …
On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation
It is suggested that there may be several effects contributing to the special catalytic
properties of supported nanosized gold particles, and that it is useful to order them in a …
properties of supported nanosized gold particles, and that it is useful to order them in a …
Contrasting the Role of Ni/Al2O3 Interfaces in Water–Gas Shift and Dry Reforming of Methane
Transition metal nanoparticles (NPs) are typically supported on oxides to ensure their
stability, which may result in modification of the original NP catalyst reactivity. In a number of …
stability, which may result in modification of the original NP catalyst reactivity. In a number of …
Catalytic activity of Au nanoparticles
B Hvolbæk, TVW Janssens, BS Clausen, H Falsig… - Nano today, 2007 - Elsevier
Au is usually viewed as an inert metal, but surprisingly it has been found that Au
nanoparticles less than 3–5 nm in diameter are catalytically active for several chemical …
nanoparticles less than 3–5 nm in diameter are catalytically active for several chemical …