Impact of dopant X in zirconia on carbon deposition at the Nickel/X-stabilized zirconia(XSZ) surface in dry CH4 and CH4/H2O environments: First-principles density functional theory calculation and experimental study
Authors:
- Hirotatsu WatanabeHWHirotatsu Watanabe
- Seina MutoSMSeina Muto
- Teppei OguraTOTeppei Ogura
Open Access
- 27 October 2023
- journal article
- research article
- Published by Elsevier in International Journal of Hydrogen Energy
- Vol. 50, 1155-1166
Abstract
No abstract availableKeywords
Funding Information
- Steel Foundation for Environmental Protection Technology
- Tokyo Institute of Technology
This publication has 47 references indexed in Scilit:
- Performance of SOFC coupled with n-C4H10 autothermal reformer: Carbon deposition and development of anode structureInternational Journal of Hydrogen Energy, 2010
- Ceria Maintains Smaller Metal Catalyst Particles by Strong Metal-Support BondingScience, 2010
- Comparison Between Internal Steam and CO[sub 2] Reforming of Methane for Ni-YSZ and Ni-ScSZ SOFC AnodesJournal of the Electrochemical Society, 2010
- Oxidation of H2, CH4, and CO Molecules at the Interface between Nickel and Yttria-Stabilized Zirconia: A Theoretical Study Based on DFTThe Journal of Physical Chemistry C, 2009
- Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic ConditionsThe Journal of Physical Chemistry C, 2009
- Effect of oxide on carbon deposition behavior of CH4 fuel on Ni/ScSZ cermet anode in high temperature SOFCsSolid State Ionics, 2006
- Equilibria in Fuel Cell GasesJournal of the Electrochemical Society, 2003
- Aging and Raman scattering study of scandia and yttria doped zirconiaSolid State Ionics, 2000
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis setPhysical Review B, 1996