Mary Jane Shultz

Mary Jane Shultz

Pearson Chemical Laboratory
62 Talbot Avenue, Medford, MA


BS, University of Wisconsin, Madison, WI, 1970
Kansas State University, Manhattan, KS, 1970-1971
PhD, Massachusetts Institute of Technology, Cambridge, MA, 1975


Physical Chemistry and Surface Science

Research Interests

Physical Chemistry and Surface Science. The Shultz group applies physics and chemistry to understand the inner workings of hydrogen bonding. Hydrogen bonding plays key roles in environmental, biological, and atmospheric chemistry. Our program has research thrusts in all three directions. We specialize both in devising environments that clearly reveal key interactions and in developing new instrumentation. The most recent focus is on icy surfaces and on clathrate formation. Probing the ice surface begins with a well-prepared single-crystal surface. We have unique capabilities for growing single-crystal ice from the melt and for and preparing any desired ice face. Our clean water efforts are aimed at developing new materials to fill the significant need for safe drinking water. According to the World Health Organization, over one billion people lack safe drinking water. Our program is based on using photo catalysts to capture readily available sunlight to turn pollutants into benign CO2 and water. We developed methods to grow ultra-nano (~2 nm) particles that have well-controlled surface structures and chemistry.

Selected Publications and Presentations

Anderson, N. J.; Xu, T.; Ouyang, M.; Bisson, P. J.; Davies, R. G.; Marmolejos, J. M.; Shultz, M. J., Photosynthesis of a Photocatalyst: Single Atom Platinum Captured and Stabilized by an Iron(III) Engineered Defect. The Journal of Physical Chemistry A 2021, 125, 1, 88–98. DOI: 10.1021/acs.jpca.0c08527

Marmolejos, Joam; Bisson, Patrick J.; Shultz, Mary Jane, "Gold as a Standard Phase Reference in Complex Sum Frequency Generation Measurements," J. Chem. Phys. 2019, 150, 124705. DOI:

Shultz, Mary Jane, "Crystal growth in ice and snow," Physics Today 2018, 71, 35-39. DOI: 10.1063/PT.3.3844. Invited cover feature.

Khuu, Thien; Anick, David; Shultz, Mary Jane, "Matrix Isolation Spectroscopy: Aqueous p-Toluenesulfonic Acid Solvation " J. Phys. Chem. A 2018, 122, 762-772. DOI: 10.1021/acs.jpca.7b08939.

Wang, Jing; Bisson, Patrick J.; Marmolejos, Joam M.; Shultz, Mary Jane, "Nonlinear Interferometer: Design, implementation and absolute sum frequency measurement " J. Chem. Phys. 2017, 147, 064201:1-8. DOI: 10.1063/1.4997736. Editor's Choice, 2017.

Shultz, Mary Jane Ice Surfaces in Annu. Rev. Phys. Chem.; Levy, A., Ed.; (Annual Reviews: Palo Alto, CA, 2017); Vol. 68, pp 285-304. DOI:

Brumberg, Alexandra; Hammonds, Kevin; Baker, Ian; Backus, Ellen; Bisson, Patrick; Bonn, Mischa; Daghlin, Charles; Mezger, Markus; Shultz, Mary Jane, "Single Crystal Ih Ice Surfaces Unveil Connection between Macroscopic and Molecular Structure," Proc. Am. Acad. Arts Sci. 2017, 114, 5349-5354. DOI: 10.1073/pnas.1703056114.

Sánchez, M. Alejandra; Kling, Tanja; Ishiyama, Tatsuya; Zadel, Marc-Jan van; Bisson, Patrick J.; Mezger, Markus; Jochum, Mara Nikola; Smit, Wilbert J.; Bakker, Huib J.; Shultz, Mary Jane; Morita, Akihiro; Donadio, Davide; Nagata, Yuki; Bonn, Mischa; Backus, Ellen H.G., "Evidence for bilayer-by-bilayer surface melting of crystalline ice," Proc. Am. Acad. Arts Sci. 2017, 114, 227-232. DOI: 10.1073/pnas.1612893114.

Bisson, Patrick; Wang, Jing; Shultz, Mary Jane, "Measuring Complex Sum Frequency Spectra with a Nonlinear Interferometer," J. Phys. Chem. Let. 2016, 7, 1945-1949. DOI: 10.1021/acs.jpclett.6b00792.

Bisson, Patrick; Groenzin, Henning; Barnett, Irene Li; Shultz, Mary Jane, "High Yield, Single Crystal Ice via the Bridgman Method," Rev. Sci. Instrum. 2016, 87, 034103:1-7. DOI: 10.1063/1.4944481.

Shultz, Mary Jane; Vu, Tuan Hoang, "Hydrogen Bonding Between Water and THF Relevant to Clathrate Formation," J. Phys. Chem. B 2015, 119, 9167-9172. DOI:

Shultz, Mary Jane; Brumberg, Alexandra; Bisson, Patrick; Shultz, Ryan, "Producing Desired Ice Faces," Proc. Natl. Acad. Sci. 2015, 112, E6096–E6100. DOI: 10.1073/pnas.1513173112.

Metz, Jordin; Shultz, Mary Jane, Mechanistic Investigation of TiO2 Photocatalysis, The Nucleus, Boston, MA, 2015. PDF:

Shultz, Mary Jane; Bisson, Patrick; Vu, Tuan Hoang, "Insights into Hydrogen Bonding via Ice Interfaces and Isolated Water " J. Chem. Phys. 2014, 141, 18C521:1-10. DOI: 10.1063/1.4896603. Invited Focus Issue.

"Hydrogen Bonding Between Water and THF Relevant to Clathrate Formation," Shultz, Mary Jane; Vu, Tuan Hoang, J. Phys. Chem. B 2014, ASAP.

"Best Face Forward: Crystal-Face Competition at the Ice-Water Interface," Shultz, Mary Jane; Bisson, Patrick J.; Brumberg, Alexandra J. Phys. Chem. B 2014, 118, 7972-7980.

"Insights into Hydrogen Bonding via Ice Interfaces and Isolated Water," Shultz, Mary Jane; Bisson, Patrick; Vu, Tuan Hoang, J. Chem. Phys. 2014, 141, 18C521:1-10, Invited Focus Issue.

"Differing Photo-Oxidation Mechanisms: Electron Transfer in TiO2 vs. Iron-Doped TiO2" Dukes, Faith M.; Iuppa, Elizabeth; Meyer, Bryce; Shultz, Mary Jane, Langmuir 2012, 28, 16933-16940.

"TiO2 Based Photo Catalysts: Evidence for Electron Transfer by Iron," Shultz, Mary Jane; Asong, Nkeng, Curr. Inorg. Chem. 2012, 2, 115-123.

"Vibrating Hydroxide in Hydrophobic Solution: The Ion to Keep an Eye On," Vu, Tuan Hoang; Shultz, Mary Jane, Chem. Phys. Lett. 2013, 572, 13-15, Editor's Choice.

"Molecular Dance: Water’s Collective Modes," Shultz, Mary Jane; Bisson, Patrick; Vu, Tuan Hoang, Chem. Phys. Lett. 2013, 588, 1-10, Featured Frontier Article.

"When do spatial abilities support student comprehension of STEM visualizations?” Hinze, S. R., Williamson, V. M., Shultz, M. J., Williamson, K. C., Deslongchamps, G., Rapp, D. N., Cogn. Process. 2013, 14, 129-142.

"Hydrogen Bonding in the prism face of ice Ih via Sum Frequency Vibrational Spectroscopy" Bisson, Patrick; Shultz, Mary Jane, J. Phys. Chem. A 2013, 117, 6116-6125.

"Water: A Responsive Small Molecule", M. J. Shultz, T. H. Vu , B. Meyer and P. Bisson, Acc. Chem. Res., 2012, 45, 15-22. Most accessed Q1