ChemInform Abstract: Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination. Issue 31 (August 2015)
- Record Type:
- Journal Article
- Title:
- ChemInform Abstract: Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination. Issue 31 (August 2015)
- Main Title:
- ChemInform Abstract: Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination.
- Authors:
- Buckeridge, John
Butler, Keith T.
Catlow, C. Richard A.
Logsdail, Andrew J.
Scanlon, David O.
Shevlin, Stephen A.
Woodley, Scott M.
Sokol, Alexey A.
Walsh, Aron - Abstract:
- <abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>A multiscale quantum‐chemical approach is used for examining the electronic structure of eight known TiO<sub>2</sub> polymorphs and aligning their ionization potential and electron affinity relative to an absolute energy reference.</p> </abstract>
- Is Part Of:
- ChemInform. Volume 46:Issue 31(2015)
- Journal:
- ChemInform
- Issue:
- Volume 46:Issue 31(2015)
- Issue Display:
- Volume 46, Issue 31 (2015)
- Year:
- 2015
- Volume:
- 46
- Issue:
- 31
- Issue Sort Value:
- 2015-0046-0031-0000
- Page Start:
- no
- Page End:
- no
- Publication Date:
- 2015-08
- Subjects:
- Chemistry -- Abstracts -- Periodicals
540.5 - Journal URLs:
- http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1522-2667 ↗
http://onlinelibrary.wiley.com/ ↗ - DOI:
- 10.1002/chin.201531001 ↗
- Languages:
- English
- ISSNs:
- 0931-7597
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - 3158.195000
British Library DSC - BLDSS-3PM
British Library STI - ELD Digital store - Ingest File:
- 4128.xml