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Titolo:
Naturally chiral metal surfaces as enantiospecific adsorbents
Autore:
Sholl, DS; Asthagiri, A; Power, TD;
Indirizzi:
Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA Carnegie Mellon Univ Pittsburgh PA USA 15213 gn, Pittsburgh, PA 15213 USA
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY B
fascicolo: 21, volume: 105, anno: 2001,
pagine: 4771 - 4782
SICI:
1520-6106(20010531)105:21<4771:NCMSAE>2.0.ZU;2-N
Fonte:
ISI
Lingua:
ENG
Soggetto:
SCANNING-TUNNELING-MICROSCOPY; ENANTIOSELECTIVE HYDROGENATION; PLATINUM SURFACES; MOLECULAR-DYNAMICS; ORGANIC-MOLECULES; ETHYL PYRUVATE; TARTARIC ACID; MONTE-CARLO; ADSORPTION; PT(111);
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
56
Recensione:
Indirizzi per estratti:
Indirizzo: Sholl, DS Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA Carnegie Mellon Univ Pittsburgh PA USA 15213 urgh, PA 15213 USA
Citazione:
D.S. Sholl et al., "Naturally chiral metal surfaces as enantiospecific adsorbents", J PHYS CH B, 105(21), 2001, pp. 4771-4782

Abstract

The creation of solid surfaces with intrinsic chirality is one promising route for developing novel enantiospecific processes. This paper focuses on high Miller index surfaces of pure metals such as Pt(643) and Pt(531). Manyhigh;Miller index surfaces exist that are intrinsically chiral due to their surface structure. We present a succinct naming and characterization scheme for these chiral metal surfaces. We also discuss the existence of intrinsically chiral semiconductor surfaces. After reviewing previous experimental work on chiral metal surfaces, we describe a series of atomistic simulations we have used to assess the enantiospecific adsorption properties of chiral hydrocarbons on chiral Pt surfaces. To examine the role of thermally driven surface disorder on surface chirality, we present a model for Pt step edge roughening based directly on diffusion energy barriers computed using density functional theory. Detailed simulations with this model indicate that naturally chiral metal surfaces retain their net chirality even after their local structure is disrupted by thermal step roughening.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 30/09/20 alle ore 09:11:47