Back to results

Virginia Tech

Interaction of Na, O₂, CO₂ and water on MnO(100): Modeling a complex mixed oxide system for thermochemical water splitting

Abstract

dc:description.abstract

A catalytic route to hydrogen production via thermochemical water splitting is highly desirable because it directly converts thermal energy into stored chemical energy in the form of hydrogen and oxygen. Recently, the Davis group at Caltech reported an innovative low-temperature (max 850°C) catalytic cycle for thermochemical water splitting based on sodium and manganese oxides (Xu, Bhawe and Davis, PNAS, 2012). The key steps are thought to be hydrogen evolution from a Na₂CO₃/MnO mixture, and oxygen evolution by thermal reduction of solids formed by Na⁺ extraction from NaMnO₂. Our work is aimed at understanding the fundamental chemical processes involved in the catalytic cycle, especially the hydrogen evolution from water. In this project, efforts are made to understand the interactions between the key components (Na, O₂, CO₂, and water) in the hydrogen evolution steps on a well-defined MnO(100) single crystal surface, utilizing x-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED) and temperature programmed desorption (TPD). While some of the behavior of the catalytic system is observed with the model system developed in this work, hydrogen is only produced from water in the presence of metallic sodium, in contrast to the proposal of Xu et al. that water splitting occurs from the reaction of water with a mixture of Na₂CO₃ and MnO. These differences are discussed in light of the different operating conditions for the catalytic system and the surface science model developed in this work.

Degree

thesis:*
Name thesis:degree_name
Ph. D.
Level thesis:degree_level
doctoral
Discipline thesis:degree_discipline
Chemical Engineering
Department dc:contributor.department
Chemical Engineering
Grantor dc:publisher
Virginia Tech
Year dc:date.issued
2015

Author and committee

dc:creator, dc:contributor.*
Author dc:creator
  • Feng, Xu
Chair dc:contributor.committeechair
  • Cox, David F.
Committee members dc:contributor.committeemember
  • Ducker, William A.
  • Davis, Richey M.
  • Lu, Chang

Subjects

dc:subject × 8

Rights

dc:rights
Statement dc:rights
  • In Copyright

Identifiers

dc:identifier.*
Dc Identifier Other
vt_gsexam:6487
OAI identifier oai:identifier
oai:vtechworks.lib.vt.edu:10919/77378

Chain of custody

source
Harvested from
Virginia Tech
Base URL
vtechworks.lib.vt.edu/oai/request
Last updated
2026-07-22
Source record
OAI-PMH GetRecord
citation

Feng, Xu. Interaction of Na, O₂, CO₂ and water on MnO(100): Modeling a complex mixed oxide system for thermochemical water splitting. doctoral thesis, Virginia Tech, 2015. http://hdl.handle.net/10919/77378