CHEMISORPTION AND REACTIONS ON SURFACES USING THEORETICAL STUDIES ON FINITE CLUSTERS.

W. A. Goddard

CHEMISORPTION AND REACTIONS ON SURFACES USING THEORETICAL STUDIES ON FINITE CLUSTERS.

W. A. Goddard

California Institute of Technology

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

We shall explore the use of calculations on intermediate sized clusters (up to 26 atoms) to model chemisorption and reactions on metal and semiconductor surfaces. The energetics and spectroscopy of such chemisorbed intermediate as CH//n (n equals 0-3), NH//n (n equals 0,3) C//2H//n (n equals 0-4), H, O, and CO will be used to examine the mechanisms of Fischer-Tropsch and ammonia synthesis on metal surfaces. Some aspects of the oxidation of metal and semiconductor surfaces will also be discussed.

Original language	English
Title of host publication	Unknown Host Publication Title
Editors	Jose L. de Segovia
Publisher	Asociacion Espanola de Vacio y sus Aplicaciones
Pages	128
Number of pages	1
ISBN (Print)	8430099816
Publication status	Published - 1 Dec 1983
Externally published	Yes

Cite this

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title = "CHEMISORPTION AND REACTIONS ON SURFACES USING THEORETICAL STUDIES ON FINITE CLUSTERS.",

abstract = "We shall explore the use of calculations on intermediate sized clusters (up to 26 atoms) to model chemisorption and reactions on metal and semiconductor surfaces. The energetics and spectroscopy of such chemisorbed intermediate as CH//n (n equals 0-3), NH//n (n equals 0,3) C//2H//n (n equals 0-4), H, O, and CO will be used to examine the mechanisms of Fischer-Tropsch and ammonia synthesis on metal surfaces. Some aspects of the oxidation of metal and semiconductor surfaces will also be discussed.",

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T1 - CHEMISORPTION AND REACTIONS ON SURFACES USING THEORETICAL STUDIES ON FINITE CLUSTERS.

AU - Goddard, W. A.

PY - 1983/12/1

Y1 - 1983/12/1

N2 - We shall explore the use of calculations on intermediate sized clusters (up to 26 atoms) to model chemisorption and reactions on metal and semiconductor surfaces. The energetics and spectroscopy of such chemisorbed intermediate as CH//n (n equals 0-3), NH//n (n equals 0,3) C//2H//n (n equals 0-4), H, O, and CO will be used to examine the mechanisms of Fischer-Tropsch and ammonia synthesis on metal surfaces. Some aspects of the oxidation of metal and semiconductor surfaces will also be discussed.

AB - We shall explore the use of calculations on intermediate sized clusters (up to 26 atoms) to model chemisorption and reactions on metal and semiconductor surfaces. The energetics and spectroscopy of such chemisorbed intermediate as CH//n (n equals 0-3), NH//n (n equals 0,3) C//2H//n (n equals 0-4), H, O, and CO will be used to examine the mechanisms of Fischer-Tropsch and ammonia synthesis on metal surfaces. Some aspects of the oxidation of metal and semiconductor surfaces will also be discussed.

M3 - Conference contribution

AN - SCOPUS:0020866692

SN - 8430099816

SP - 128

BT - Unknown Host Publication Title

A2 - de Segovia, Jose L.

PB - Asociacion Espanola de Vacio y sus Aplicaciones

ER -

CHEMISORPTION AND REACTIONS ON SURFACES USING THEORETICAL STUDIES ON FINITE CLUSTERS.

Abstract

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