[图书][B] Structure and properties of atomic nanoclusters
JA Alonso - 2012 - books.google.com
Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to
the small size of these pieces of matter, the properties of atomic clusters in general are …
the small size of these pieces of matter, the properties of atomic clusters in general are …
Investigation of the structures of MgO clusters using a genetic algorithm
C Roberts, RL Johnston - Physical Chemistry Chemical Physics, 2001 - pubs.rsc.org
The application of a genetic algorithm, for optimizing the geometries of stoichiometric and
non-stoichiometric MgO clusters, bound by a simple Coulomb-plus-Born–Mayer potential, is …
non-stoichiometric MgO clusters, bound by a simple Coulomb-plus-Born–Mayer potential, is …
Multipoles and interaction potentials in ionic materials from planewave-DFT calculations
Oxide potentials which transfer well between different materials have to account explicitly for
many-body contributions to the interaction potentials between the ions. These include dipole …
many-body contributions to the interaction potentials between the ions. These include dipole …
Structures and stabilities of Aln+, Aln, and Aln−(n= 13–34) clusters
Putative global minima of neutral (Al n) and singly charged ( Al n+ and Al n−) aluminum
clusters with n= 13–34 have been located from first-principles density functional theory …
clusters with n= 13–34 have been located from first-principles density functional theory …
Interionic potentials from ab initio molecular dynamics: The alkaline earth oxides CaO, SrO, and BaO
Transferable potential models of interatomic interactions in CaO, SrO, and BaO are obtained
by fitting the forces and stress tensor given by the aspherical ion model (AIM)[J. Chem. Phys …
by fitting the forces and stress tensor given by the aspherical ion model (AIM)[J. Chem. Phys …
AFM tip characterization by Kelvin probe force microscopy
C Barth, T Hynninen, M Bieletzki, CR Henry… - New Journal of …, 2010 - iopscience.iop.org
Reliable determination of the surface potential with spatial resolution is key for
understanding complex interfaces that range from nanostructured surfaces to molecular …
understanding complex interfaces that range from nanostructured surfaces to molecular …
Activation of dinitrogen by solid and liquid aluminum nanoclusters: a combined experimental and theoretical study
B Cao, AK Starace, OH Judd… - Journal of the …, 2010 - ACS Publications
Cross sections for chemisorption of N2 onto Al44+/− cluster ions have been measured as a
function of relative kinetic energy and the temperature of the metal cluster. There is a kinetic …
function of relative kinetic energy and the temperature of the metal cluster. There is a kinetic …
Structures and stabilities of CaO and MgO clusters and cluster ions: an alternative interpretation of the experimental mass spectra
The structures and relative stabilities of doubly charged nonstoichiometric (CaO) n Ca2+ (n=
1− 29) cluster ions and of neutral stoichiometric (MgO) n and (CaO) n (n= 3, 6, 9, 12, 15, 18) …
1− 29) cluster ions and of neutral stoichiometric (MgO) n and (CaO) n (n= 3, 6, 9, 12, 15, 18) …
Characterization of thin MgO films on Ag (001) by low-energy electron diffraction and scanning tunneling microscopy
A Ouvrard, J Niebauer, A Ghalgaoui… - The Journal of …, 2011 - ACS Publications
The evolution of the MgO (001) film morphology on Ag (001) was studied in dependence on
the growth temperature (373− 673 K) and grown MgO quantity (0.2− 2 ML) by low-energy …
the growth temperature (373− 673 K) and grown MgO quantity (0.2− 2 ML) by low-energy …
Structures and bonding characters of (MgO) 3n (n= 2–8) clusters
Y Zhang, HS Chen, YH Yin, Y Song - Journal of Physics B …, 2014 - iopscience.iop.org
The chemical bonds in clusters may be different to those in the conventional bulk. Bulk
magnesium oxide (MgO) is a well-known ionic material with the rocksalt structure. However …
magnesium oxide (MgO) is a well-known ionic material with the rocksalt structure. However …