Energy Barrier of Proton Transfer in 3d Transition Metal-Doped Boehmite
- 16 February 2021
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry C
- Vol. 125 (7), 3804-3810
- https://doi.org/10.1021/acs.jpcc.0c08166
Abstract
No abstract availableKeywords
Funding Information
- Ministry of Education of the People's Republic of China (20133108120021)
- Ministry of Science and Technology of the People's Republic of China (2018YFB1502501-05)
- Science and Technology Commission of Shanghai Municipality (17010500600)
- National Natural Science Foundation of China (51302166)
This publication has 29 references indexed in Scilit:
- Proton transfer in the hydrogen-bonded chains of lepidocrocite: a computational studyPhysical Chemistry Chemical Physics, 2011
- Degenerate Intermolecular and Intramolecular Proton-Transfer Reactions: Electronic Structure of the Transition StatesThe Journal of Physical Chemistry A, 2009
- Functionalised pseudo-boehmite nanoparticles as an excellent adsorbent material for anionic dyesJournal of Materials Chemistry, 2008
- Van der Waals Density Functional for General GeometriesPhysical Review Letters, 2004
- Theoretical Study of the Dehydration Process of Boehmite to γ-AluminaThe Journal of Physical Chemistry B, 2001
- From ultrasoft pseudopotentials to the projector augmented-wave methodPhysical Review B, 1999
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Special points for Brillouin-zone integrationsPhysical Review B, 1976
- Proton mobility in solids. Part 2.—Dielectric and diffusion measurements in boehmiteTransactions of the Faraday Society, 1967