Hydrides formed from intermetallic compounds of two transition metals: a special class of ternary alloys
KHJ Buschow, PCP Bouten… - Reports on Progress in …, 1982 - iopscience.iop.org
The authors review available experimental information on the existence, thermodynamic
stability and physical properties of hydrides formed by the absorption of hydrogen gas in …
stability and physical properties of hydrides formed by the absorption of hydrogen gas in …
Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
MS Daw, MI Baskes - Physical Review B, 1984 - APS
We develop the embedded-atom method [Phys. Rev. Lett. 50, 1285 (1983)], based on
density-functional theory, as a new means of calculating ground-state properties of realistic …
density-functional theory, as a new means of calculating ground-state properties of realistic …
Relativity and the periodic system of elements
P Pyykko, JP Desclaux - Accounts of Chemical Research, 1979 - ACS Publications
While spin-orbit effects have been recognized in interpreting magnetic properties of
molecules con-taining heavy atoms, more elaborate calculations are required to establish …
molecules con-taining heavy atoms, more elaborate calculations are required to establish …
Interaction of hydrogen with solid surfaces
K Christmann - Surface Science Reports, 1988 - Elsevier
The present article focusses on the chemosorptive and physisorptive behavior of hydrogen
interacting with solid surfaces. Depending on the electronic structure of the solid hydrogen …
interacting with solid surfaces. Depending on the electronic structure of the solid hydrogen …
[HTML][HTML] On-chip ultrasensitive and rapid hydrogen sensing based on plasmon-induced hot electron–molecule interaction
Hydrogen energy is a zero-carbon replacement for fossil fuels. However, hydrogen is highly
flammable and explosive hence timely sensitive leak detection is crucial. Existing optical …
flammable and explosive hence timely sensitive leak detection is crucial. Existing optical …
Relativistic quantum chemistry
P Pyykkö - Advances in quantum chemistry, 1978 - Elsevier
Publisher Summary This chapter provides a summary of the relativistic calculations on
multielectron or multicenter problems. The Dirac–Fock Hamiltonian and the main quantum …
multielectron or multicenter problems. The Dirac–Fock Hamiltonian and the main quantum …
Surface effects and the formation of metal hydrides
L Schlapbach, A Seiler, F Stucki… - Journal of the Less …, 1980 - Elsevier
Hydrogen is stored atomically in metal hydrides. Dissociative chemisorption and associative
desorption are therefore important steps in the hydrogen absorption and desorption …
desorption are therefore important steps in the hydrogen absorption and desorption …
[图书][B] The chemistry of the catalyzed hydrogenation of carbon monoxide
G Henrici-Olivé, S Olivé - 2012 - books.google.com
During the oil embargo, in the winter 1973174, parts of Western Europe present ed an
almost war-like aspect on Saturdays and Sundays: no traffic on the high ways, no crowds at …
almost war-like aspect on Saturdays and Sundays: no traffic on the high ways, no crowds at …
Molecular‐orbital model for metal‐sapphire interfacial strength
KH Johnson, SV Pepper - Journal of Applied Physics, 1982 - pubs.aip.org
Self‐consistent‐field X‐Alpha scattered‐wave cluster molecular‐orbital models have been
constructed for transition and noble metals (Fe, Ni, Cu, and Ag) in contact with a sapphire …
constructed for transition and noble metals (Fe, Ni, Cu, and Ag) in contact with a sapphire …
Interaction of hydrogen with a Pd (111) surface
W Eberhardt, SG Louie, EW Plummer - Physical Review B, 1983 - APS
The electronic properties of H chemisorbed on the Pd (111) surface are studied with the use
of angle-resolved photoelectron spectroscopy and a self-consistent pseudopotential mixed …
of angle-resolved photoelectron spectroscopy and a self-consistent pseudopotential mixed …