Overlap Integrals for Atom-Metal Surface Interactions.

1985 ◽  
Author(s):  
W. C. Murphy ◽  
T. F. George
Keyword(s):  
Metal Surface ◽  
Surface Interactions ◽  
Overlap Integrals

Overlap integrals for atom-metal surface interactions

1985 ◽  
Vol 28 (5) ◽  
pp. 631-639 ◽  
Author(s):  
William C. Murphy ◽  
Thomas F. George
Keyword(s):  
Metal Surface ◽  
Surface Interactions ◽  
Overlap Integrals

Electronic effects due to organic linker-metal surface interactions: implications on screening of MOF-encapsulated catalysts

2020 ◽  
Vol 22 (4) ◽  
pp. 2475-2487
Author(s):  
Benjamin Schweitzer ◽  
Chloe Archuleta ◽  
Bomsaerah Seong ◽  
Ryther Anderson ◽  
Diego A. Gómez-Gualdrón
Keyword(s):  
Metal Surface ◽  
Surface Interactions ◽  
Electronic Effects ◽  
Interface Models ◽  
Hybrid Catalysts ◽  
Organic Linker ◽  
Encapsulated Catalysts

Using approximated NP/MOF interface models, DFT was used to investigate MOF-originated electronic effects on encapsulated NPs in NP@MOF hybrid catalysts.

ProMetCS: An Atomistic Force Field for Modeling Protein−Metal Surface Interactions in a Continuum Aqueous Solvent

2010 ◽  
Vol 6 (5) ◽  
pp. 1753-1768 ◽  
Author(s):  
Daria B. Kokh ◽  
Stefano Corni ◽  
Peter J. Winn ◽  
Martin Hoefling ◽  
Kay E. Gottschalk ◽  
...  
Keyword(s):  
Force Field ◽  
Metal Surface ◽  
Surface Interactions ◽  
Aqueous Solvent

SURFACE STRUCTURAL RESEARCH WITH ATOM BEAM DIFFRACTION: HELIUM VERSUS NEON

1994 ◽  
Vol 01 (01) ◽  
pp. 51-65 ◽  
Author(s):  
K.H. RIEDER
Keyword(s):  
Charge Density ◽  
Metal Surface ◽  
Metal Surfaces ◽  
Surface Interactions ◽  
Surface Atom ◽  
Structural Studies ◽  
Atom Beam ◽  
Enhanced Sensitivity ◽  
Structural Research ◽  
Beam Diffraction

A brief review on surface structural studies with He and Ne atom beam diffraction is presented. It is shown that for scattering from clean and hydrogen-covered metal surfaces with Ne, systematically larger corrugation amplitudes are obtained so that charge density contours closer to the surface atom cores are scanned. This leads to an enhanced sensitivity towards details of atomic arrangements at surfaces and sometimes surface bonding aspects can also be revealed. Most importantly, however, Ne seems to give more faithful pictures of surface atomic arrangements than He, probably due to larger influences of anticorrugating effects in He-metal surface interactions.

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