X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface: The influence of local surface structure

Santanu Chaudhuri, Jason Graetz, Alexander Y. Ignatov, James T. Reilly, James Muckerman

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The hydrogen chemisorption process in metal hydrides and binary alloy systems of current interest for reversible hydrogen storage are dependent on the effective use of appropriate catalysts. To meet the current performance challenges, an understanding of the role of transition metal catalysts in the surface chemical reactions is crucial. To illustrate this point, experimental and theoretical results obtained from a study of hydrogen storage reactions in the sodium alanate system were presented. Reversible hydrogen storage in this material depended on the chemisorption of hydrogen that is catalytically assisted by 2-4% Ti dopant. The role of Ti could be linked entirely to the Ti-containing active sites on the surface of the metallic Al phase that is formed during the multi-step hydrogen depletion process. The Ti atoms had no long-range order beyond the second coordination sphere in the Al- phase, and it is located on or near the surface. This is an abstract of a paper presented at the 230th ACS National Meeting (Washington, DC 8/28/2005-9/1/2005)].

Original languageEnglish
Title of host publicationACS National Meeting Book of Abstracts
Volume230
Publication statusPublished - 2005
Event230th ACS National Meeting - Washington, DC, United States
Duration: Aug 28 2005Sep 1 2005

Other

Other230th ACS National Meeting
CountryUnited States
CityWashington, DC
Period8/28/059/1/05

Fingerprint

X ray absorption
Hydrogen storage
Chemisorption
Surface structure
Density functional theory
Hydrogen
Catalysts
Binary alloys
Hydrides
Transition metals
Chemical reactions
Metals
Doping (additives)
Atoms

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Chaudhuri, S., Graetz, J., Ignatov, A. Y., Reilly, J. T., & Muckerman, J. (2005). X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface: The influence of local surface structure. In ACS National Meeting Book of Abstracts (Vol. 230)

X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface : The influence of local surface structure. / Chaudhuri, Santanu; Graetz, Jason; Ignatov, Alexander Y.; Reilly, James T.; Muckerman, James.

ACS National Meeting Book of Abstracts. Vol. 230 2005.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Chaudhuri, S, Graetz, J, Ignatov, AY, Reilly, JT & Muckerman, J 2005, X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface: The influence of local surface structure. in ACS National Meeting Book of Abstracts. vol. 230, 230th ACS National Meeting, Washington, DC, United States, 8/28/05.
Chaudhuri S, Graetz J, Ignatov AY, Reilly JT, Muckerman J. X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface: The influence of local surface structure. In ACS National Meeting Book of Abstracts. Vol. 230. 2005
Chaudhuri, Santanu ; Graetz, Jason ; Ignatov, Alexander Y. ; Reilly, James T. ; Muckerman, James. / X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface : The influence of local surface structure. ACS National Meeting Book of Abstracts. Vol. 230 2005.
@inproceedings{a03d8d9d205e4090a276b81640a5ef28,
title = "X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface: The influence of local surface structure",
abstract = "The hydrogen chemisorption process in metal hydrides and binary alloy systems of current interest for reversible hydrogen storage are dependent on the effective use of appropriate catalysts. To meet the current performance challenges, an understanding of the role of transition metal catalysts in the surface chemical reactions is crucial. To illustrate this point, experimental and theoretical results obtained from a study of hydrogen storage reactions in the sodium alanate system were presented. Reversible hydrogen storage in this material depended on the chemisorption of hydrogen that is catalytically assisted by 2-4{\%} Ti dopant. The role of Ti could be linked entirely to the Ti-containing active sites on the surface of the metallic Al phase that is formed during the multi-step hydrogen depletion process. The Ti atoms had no long-range order beyond the second coordination sphere in the Al- phase, and it is located on or near the surface. This is an abstract of a paper presented at the 230th ACS National Meeting (Washington, DC 8/28/2005-9/1/2005)].",
author = "Santanu Chaudhuri and Jason Graetz and Ignatov, {Alexander Y.} and Reilly, {James T.} and James Muckerman",
year = "2005",
language = "English",
volume = "230",
booktitle = "ACS National Meeting Book of Abstracts",

}

TY - GEN

T1 - X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface

T2 - The influence of local surface structure

AU - Chaudhuri, Santanu

AU - Graetz, Jason

AU - Ignatov, Alexander Y.

AU - Reilly, James T.

AU - Muckerman, James

PY - 2005

Y1 - 2005

N2 - The hydrogen chemisorption process in metal hydrides and binary alloy systems of current interest for reversible hydrogen storage are dependent on the effective use of appropriate catalysts. To meet the current performance challenges, an understanding of the role of transition metal catalysts in the surface chemical reactions is crucial. To illustrate this point, experimental and theoretical results obtained from a study of hydrogen storage reactions in the sodium alanate system were presented. Reversible hydrogen storage in this material depended on the chemisorption of hydrogen that is catalytically assisted by 2-4% Ti dopant. The role of Ti could be linked entirely to the Ti-containing active sites on the surface of the metallic Al phase that is formed during the multi-step hydrogen depletion process. The Ti atoms had no long-range order beyond the second coordination sphere in the Al- phase, and it is located on or near the surface. This is an abstract of a paper presented at the 230th ACS National Meeting (Washington, DC 8/28/2005-9/1/2005)].

AB - The hydrogen chemisorption process in metal hydrides and binary alloy systems of current interest for reversible hydrogen storage are dependent on the effective use of appropriate catalysts. To meet the current performance challenges, an understanding of the role of transition metal catalysts in the surface chemical reactions is crucial. To illustrate this point, experimental and theoretical results obtained from a study of hydrogen storage reactions in the sodium alanate system were presented. Reversible hydrogen storage in this material depended on the chemisorption of hydrogen that is catalytically assisted by 2-4% Ti dopant. The role of Ti could be linked entirely to the Ti-containing active sites on the surface of the metallic Al phase that is formed during the multi-step hydrogen depletion process. The Ti atoms had no long-range order beyond the second coordination sphere in the Al- phase, and it is located on or near the surface. This is an abstract of a paper presented at the 230th ACS National Meeting (Washington, DC 8/28/2005-9/1/2005)].

UR - http://www.scopus.com/inward/record.url?scp=33745455766&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33745455766&partnerID=8YFLogxK

M3 - Conference contribution

AN - SCOPUS:33745455766

VL - 230

BT - ACS National Meeting Book of Abstracts

ER -