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1. Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution

open_access
Open Access
Author:
Morrow, Christin Palombo
Title:
Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution
Graduate Program:
Chemistry
Keywords:
density functional theory
molecular dynamics
mineral dissolution
silicate
computational
kinetics
geochemistry
File:
Download Christin_P._Morrow_Dissertation.pdf
Committee Members:
Karl T. Mueller, Committee Chair/Co-Chair
James D. Kubicki, Committee Chair/Co-Chair
Sharon Hammes-Schiffer, Committee Member
William Noid, Committee Member
Vincent Crespi, Committee Member

2. THE FORMATION OF IRON (HYDR)OXIDES IN SURFACE ENVIRONMENTS: A CRYSTALLOGRAPHIC AND KINETIC

open_access
Open Access
Author:
Chen, Si
Title:
THE FORMATION OF IRON (HYDR)OXIDES IN SURFACE ENVIRONMENTS: A CRYSTALLOGRAPHIC AND KINETIC
Graduate Program:
Geosciences (PHD)
Keywords:
hematite
goethite
ferrihydrite
hydrohematite
iron oxides
iron hydroxides
transformation
XRD
X-ray diffraction
synchrotron
neutron
neutron scattering
geochemistry
low temperature
kinetics
crystallographic
surface environment
DFT
First principle study
hydrous hematite
hydrous
deficient
vacancy
mineralogy
iron oxyhydroxides
File:
Download ChenSi2021-Thesis-draft-100121-v7.pdf
Committee Members:
William Burgos, Outside Unit & Field Member
Peter Heaney, Chair & Dissertation Advisor
Susan Brantley, Major Field Member
Mark Patzkowsky, Program Head/Chair
Jennifer Macalady, Major Field Member