Structure of V2O5·nH2O xerogel solved by the atomic pair distribution function technique

Valeri Petkov, Pantelis N. Trikalitis, Emil S. Bozin, Simon J L Billinge, Thomas Vogt, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

316 Citations (Scopus)

Abstract

A long-standing issue regarding the local and long-range structure of V2O5·nH2O xerogel has been successfully addressed. The full three-dimensional structure of the lamellar turbostratic V2O5·nH2O xerogel was determined by the atomic pair distribution function technique. We show that on the atomic scale the slabs of the xerogel can be described well as almost perfect pairs (i.e., bilayers) of single V2O5 layers made of square pyramidal VO5 units. These slabs are separated by water molecules and stack along the z-axis of a monoclinic unit cell (space group C2/m) with parameters a = 11.722(3) Å, b = 3.570(3) Å, c = 11.520(3) Å, and β = 88.65°. The stacking sequence shows signatures of turbostratic disorder and a structural coherence limited to 50 Å.

Original languageEnglish
Pages (from-to)10157-10162
Number of pages6
JournalJournal of the American Chemical Society
Volume124
Issue number34
DOIs
Publication statusPublished - Aug 28 2002

Fingerprint

Xerogels
Distribution functions
Water
Molecules
vanadium pentoxide

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Structure of V2O5·nH2O xerogel solved by the atomic pair distribution function technique. / Petkov, Valeri; Trikalitis, Pantelis N.; Bozin, Emil S.; Billinge, Simon J L; Vogt, Thomas; Kanatzidis, Mercouri G.

In: Journal of the American Chemical Society, Vol. 124, No. 34, 28.08.2002, p. 10157-10162.

Research output: Contribution to journalArticle

Petkov, Valeri ; Trikalitis, Pantelis N. ; Bozin, Emil S. ; Billinge, Simon J L ; Vogt, Thomas ; Kanatzidis, Mercouri G. / Structure of V2O5·nH2O xerogel solved by the atomic pair distribution function technique. In: Journal of the American Chemical Society. 2002 ; Vol. 124, No. 34. pp. 10157-10162.
@article{8dacbd51c75241a0992dcf7d86eca849,
title = "Structure of V2O5·nH2O xerogel solved by the atomic pair distribution function technique",
abstract = "A long-standing issue regarding the local and long-range structure of V2O5·nH2O xerogel has been successfully addressed. The full three-dimensional structure of the lamellar turbostratic V2O5·nH2O xerogel was determined by the atomic pair distribution function technique. We show that on the atomic scale the slabs of the xerogel can be described well as almost perfect pairs (i.e., bilayers) of single V2O5 layers made of square pyramidal VO5 units. These slabs are separated by water molecules and stack along the z-axis of a monoclinic unit cell (space group C2/m) with parameters a = 11.722(3) {\AA}, b = 3.570(3) {\AA}, c = 11.520(3) {\AA}, and β = 88.65°. The stacking sequence shows signatures of turbostratic disorder and a structural coherence limited to 50 {\AA}.",
author = "Valeri Petkov and Trikalitis, {Pantelis N.} and Bozin, {Emil S.} and Billinge, {Simon J L} and Thomas Vogt and Kanatzidis, {Mercouri G}",
year = "2002",
month = "8",
day = "28",
doi = "10.1021/ja026143y",
language = "English",
volume = "124",
pages = "10157--10162",
journal = "Journal of the American Chemical Society",
issn = "0002-7863",
publisher = "American Chemical Society",
number = "34",

}

TY - JOUR

T1 - Structure of V2O5·nH2O xerogel solved by the atomic pair distribution function technique

AU - Petkov, Valeri

AU - Trikalitis, Pantelis N.

AU - Bozin, Emil S.

AU - Billinge, Simon J L

AU - Vogt, Thomas

AU - Kanatzidis, Mercouri G

PY - 2002/8/28

Y1 - 2002/8/28

N2 - A long-standing issue regarding the local and long-range structure of V2O5·nH2O xerogel has been successfully addressed. The full three-dimensional structure of the lamellar turbostratic V2O5·nH2O xerogel was determined by the atomic pair distribution function technique. We show that on the atomic scale the slabs of the xerogel can be described well as almost perfect pairs (i.e., bilayers) of single V2O5 layers made of square pyramidal VO5 units. These slabs are separated by water molecules and stack along the z-axis of a monoclinic unit cell (space group C2/m) with parameters a = 11.722(3) Å, b = 3.570(3) Å, c = 11.520(3) Å, and β = 88.65°. The stacking sequence shows signatures of turbostratic disorder and a structural coherence limited to 50 Å.

AB - A long-standing issue regarding the local and long-range structure of V2O5·nH2O xerogel has been successfully addressed. The full three-dimensional structure of the lamellar turbostratic V2O5·nH2O xerogel was determined by the atomic pair distribution function technique. We show that on the atomic scale the slabs of the xerogel can be described well as almost perfect pairs (i.e., bilayers) of single V2O5 layers made of square pyramidal VO5 units. These slabs are separated by water molecules and stack along the z-axis of a monoclinic unit cell (space group C2/m) with parameters a = 11.722(3) Å, b = 3.570(3) Å, c = 11.520(3) Å, and β = 88.65°. The stacking sequence shows signatures of turbostratic disorder and a structural coherence limited to 50 Å.

UR - http://www.scopus.com/inward/record.url?scp=0037190069&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0037190069&partnerID=8YFLogxK

U2 - 10.1021/ja026143y

DO - 10.1021/ja026143y

M3 - Article

VL - 124

SP - 10157

EP - 10162

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

SN - 0002-7863

IS - 34

ER -