An ab-initio study on the thermodynamics of disulfide, sulfide, and bisulfide incorporation into apatite and the development of a more comprehensive temperature, pressure, pH, and composition-dependent model for ionic substitution in minerals

An ab-initio study of the energetics and geometry of sulfide, sulfite, and sulfate incorporation into apatite: The thermodynamic basis for using this system as an oxybarometer

Energetics and kinetics of carbonate orientational ordering in vaterite calcium carbonate

Growth process and crystallographic properties of ammonia-induced vaterite

Quantum-mechanical evaluation of Np-incorporation into studtite

Structure and carbonate orientation of vaterite (CaCO 3 )

Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO 2 ) surfaces: (111), (110), and (100)

Introduction to the Environmental Mineralogy Special Issue

Step edges on galena (100): Probing the basis for defect driven surface reactivity at the atomic scale

Thermodynamics of the R 3̅ to R 3̅ c phase transition in the ilmenite-hematite solid solution

Surface defects and self-diffusion on pyrite {100}: An ultra-high vacuum scanning tunneling microscopy and theoretical modeling study

Atomically resolved electronic structure of pyrite {100} surfaces; an experimental and theoretical investigation with implications for reactivity

The interaction of pyrite {100} surfaces with O 2 and H 2 O; fundamental oxidation mechanisms

Aspects of goethite surface microtopography, structure, chemistry, and reactivity

The electronic structure of hematite {001} surfaces; applications to the interpretation of STM images and heterogeneous surface reactions