Cirriculum Vitae

EDUCATION 

2019 – 2023 Ph.D. Geology at Caltech – Pasadena, California

My research focus is on the speciation of hydrogen in nominally anhydrous minerals (NAMs). I use a combination of QM calculations and vibrational spectroscopy to determine the structural state of hydrogen in NAMs. My Ph.D. work falls into three categories: 

1. Predicting yet-observed hydrogen defects in NAMs via QM: In certain instances, chemical data may suggest the presence of H when no explicit measurement of H is made (i.e., low oxide totals, compositions that do not charge balance). In these cases, QM can be used to predict how H may behave if it is present. 

2. Interpreting experimental datasets via QM: Infrared spectra are inherently linked to the structures of OH- defects in NAMs but cannot be directly interpreted. Through QM calculations, I attempt to link defect structures to spectral features, both in my own data and data from the literature. 

3. Exploring the prevalence of H- in oxide phases: H- has been documented in a variety of oxide phases but is under-investigated from an earth science perspective. Very little has been done to characterize the infrared behavior of H-, mostly because its vibrational modes are in highly absorbing regions of most infrared spectra. I am working to induce these defects in crystalline oxides and document their spectroscopic properties. 

2017 – 2019 M.Sc. Geology at Caltech – Pasadena, California

2013 – 2017 B.S. Geosciences at Virginia Tech – Blacksburg, Virginia 

PUBLICATIONS 

W. R. Palfey, G. R. Rossman, W. A. Goddard III, (2021) Structure, Energetics, and Spectra for the Oxygen Vacancy in Rutile: Prominence of the Ti−HO −Ti Bond. J. Phys. Chem. Lett. DOI: 10.1021/acs.jpclett.1c02850 

W. R. Palfey, G. R. Rossman, W. A. Goddard III, (2022) Behavior of hydrogarnet‐type defects in hydrous stishovite at various temperatures and pressures. JGR Solid Earth. DOI: 10.1029/2022JB024980 

O. A. Pardo, W. R. Palfey, V. V. Dobrosavljevic, W. Sturhahn, Z. Liu, W. A. Goddard III, G. R. Rossman, T. S. Toellner, J. M. Jackson (In preparation) High pressure vibrational properties of szomolnokite. 

W. R. Palfey, G. R. Rossman, W. A. Goddard III, (In preparation) First-principles study of Na and K coupling to H in Davemaoite 

W. R. Palfey, W. A. Goddard III, S. Hwang, G. R. Rossman (In preparation) Characterization of H defects in reduced rutile via infrared and NMR spectroscopy 

W. R. Palfey, W. A. Goddard III, S. Hwang, G. R. Rossman (In preparation) Vibrational spectroscopy of hydride in SrTiO₃ perovskite 

PRESENTATIONS 

W. R. Palfey, W. A. Goddard III, S. Hwang, G. R. Rossman (2022, December) Hydride in oxide minerals – a potentially overlooked reservoir for hydrogen in the mantle. Presented at Fall meeting of the American Geophysical Union, 2022. 

O. A. Pardo (presenter), W. R. Palfey, V. V. Dobrosavljevic, W. Sturhahn, Z. Liu, G. R. Rossman, T. S. Toellner, J. M. Jackson (2022, December) High pressure vibrational properties of szomolnokite. Presented at Fall meeting of the American Geophysical Union, 2022. 

W. R. Palfey, W. A. Goddard III, G. R. Rossman (2022, December) Hidden hydrogen – a study of oxygen substituting hydrogen defects in rutile. Presented at Fall meeting of the American Geophysical Union, 2021. 

TEACHING 

Teaching Assistant for Mineralogy (October – December 2019, 2020, 2021): Led the lab section of the course and graded lab reports and homework assignments. Topics covered included: mineral identification, crystallography, point groups, mineral structures, crystal chemistry, mineral spectroscopy, among others. Adapted the course material for remote instruction during the 2020 term. 

Teaching Assistant for Analytical Techniques Laboratory (January – April 2018): Assisted students with instrument use in practical laboratory exercises and graded lab reports. Techniques included: scanning electron microscopy, electron probe microanalysis, laser ablation ICP-MS, Raman spectroscopy, infrared spectroscopy, X-ray fluorescence and powder X-ray diffraction. 

AWARDS 

Richard H. Jahns Teaching Award (Caltech) - 2020 

Virginia Tech Department of Geosciences Outstanding Senior Award - 2017 

Thomas T. Jeffries Geoscience Excellence Award (Virginia Tech) - 2014 

PROFESSIONAL AFFILIATIONS 

Member of Mineralogical Society of America (2021 - present) 

Member of American Geophysical Union (2017 - present) 

SKILLS 

Strong presentation, communication, and teaching skills Hands on experience modifying and building laboratory equipment and instrumentation 

Computational: 

Experienced user of: Linux, vim, cluster computing techniques, and VASP (DFT) 

Analytical:

Extensive knowledge and use of:

• Fourier transform infrared spectroscopy 

• Raman spectroscopy 

• H microanalysis via continuous flow mass spectrometry 

• X-ray fluorescence (XRF) spectroscopy

Proficient use of: 

• Electron probe microanalysis 

• Single crystal X-ray diffraction