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William Schneider

William F Schneider

H. Clifford and Evelyn A. Brosey Professor of Engineering

Department of Chemical and Biomolecular Engineering

H. Clifford and Evelyn A. Brosey Professor of Engineering
College of Engineering


Phone: 574-631-8754

Office: 123B Cushing Hall


Ph.D. Chemistry, Ohio State University (1991)

B.S. Chemistry, University of Michigan-Dearborn (1986)


Professor, University of Notre Dame (2009-present)

Associate Professor, University of Notre Dame (2004-2009)

Staff Technical Specialist, Ford Motor Company (2001-2004)

Technical Specialist, Ford Motor Company (1991-2001)

Professional Activities

Senior Editor, Journal of Physical Chemistry

Recent Publications

L. M. Herder, J. M. Bray and W. F. Schneider, “Comparison of Cluster Expansion Fitting Algorithms for Interactions at Surfaces,”Surf. Sci.2015640, 104-111. doi:10.1016/j.susc.2015.02.017

J. M. Bray and W. F. Schneider, “First-Principles Analysis of Structure Sensitivity in NO Oxidation on Pt,” ACS Catal.20155, 1087-1099. doi:10.1021/cs501783q

J. P. Clay, J. P. Greeley, F. H. Ribeiro, W. N. Delgass, and W. F. Schneider, “DFT Comparison of Intrinsic WGS Kinetics over Pd and Pt,” J. Catal.2014320, 106-117. doi:10.1016/j.jcat.2014.09.026

C. Paolucci, A. A. Verma, S. A. Bates, V. F. Kispersky, J. T. Miller, R. Gounder, W. N. Delgass, F. H. Ribeiro, and W. F. Schneider, “Isolation of the Cu Redox Steps in Standard SCR on Cu-SSZ-13,” Angew. Chemie201453, 11828-11833.doi:10.1002/ange.201407030

K. Frey, D. J. Schmidt, C. Wolverton and W. F. Schneider, “Implications of coverage-dependent O adsorption for catalytic NO oxidation on the late transition metals,” Catal. Sci. Technol20144, 4356-4365. doi:10.1016/10.1039/c4cy00763h

G. Mozurkewich, L. D. Simoni, M. A. Stadtherr, and W. F. Schneider, “Performance Implications of Chemical Absorption for the Carbon-Dioxide-Cofluid Refrigeration Cycle,” Int. J. Refrig.201446, 196-206. doi:10.1016/j.ijrefrig.2014.06.014

S. Seo, M. Quiroz-Guzman, M. A. DeSilva, T. B. Lee, Y. Huang, B. F. Goodrich, W. F. Schneider, and J. F. Brennecke, “Chemically Tunable Ionic Liquids with Aprotic Heterocyclic Anion (AHA) for CO2 Capture,” J. Phys. Chem. B2014118, 5740-5751.doi:10.1021/jp502279w

T. R. Gohndrone, T. B. Lee, M. A. DaSilva, M. Quiroz-Guzman, W. F. Schneider, and J. F. Brennecke, “Competing Cation- and Anion-CO2 Reactions in Azolide Ionic Liquids,” ChemSusChem20147, 1970-1975. doi:10.1002/cssc.201400009

W. Chen, W. F. Schneider, and C. Wolverton, “Trends in Atomic Adsorption on Pt3M(111) Transition Metal Bimetallic Surface Overlayers,” J. Phys. Chem. C2014118, 8342-8349. doi:10.1021/jp410607k

A. A. Verma, S. A. Bates, T. Anggara, C. Paolucci, A. A. Parekh, K. Kamasamudram, A. Yezerets, J. T. Miller, W. N. Delgass, W. F. Schneider, and F. H. Ribeiro, “NO oxidation: A Probe Reaction on Cu-SSZ-13,” J. Catal.2014312, 179-190.doi:10.1016/j.jcat.2014.01.017

S. A. Bates, A. A. Verma, C. Paolucci, A. A. Parekh, T. Anggara, A. Yezerets, W. F. Schneider, J. T. Miller, W. N. Delgass, and F. H. Ribeiro, “Identification of Active Cu Sites in Standard Selective Catalytic Reduction with Ammonia on Cu-SSZ-13,” J. Catal.,2014312, 87-97. doi:10.1016/j.jcat.2014.01.004

J. M. Bray, I. Skavdahl, J.-S. McEwen, and W. F. Schneider, “First-principles Reaction Site Model for Coverage-Sensitive Surface Reactions: Pt(111)-O Temperature-Programmed Desorption,” Surf. Sci. Lett.2014622, L1-L6.doi:10.1016/j.susc.2013.12.005


Fellow of the American Association for the Advancement of Science (AAAS) (2011)

BP Foundation Outstanding Teacher Award, College of Engineering, University of Notre Dame (2009)

Professional Growth and Scholarship Award, Alumni Society, University of Michigan-Dearborn (2008)

Summary of Activities/Interests

The goal of research in the Schneider group is to develop molecular-level understanding, and ultimately to direct molecular-level design, of chemical reactivity at surfaces and interfaces. This heterogeneous chemistry is a key element of virtually every aspect of the energy enterprise, and is fundamental to environmental processes on the earth and in the atmosphere. Examples range from the preparation of clean fuels from crude oil or coal, to the transformation of chemical to electrical energy in fuel cells, to the remediation of exhaust from fossil fuel combustion, to even the sequestration of CO2 via mineralization. While the processes and technologies of interest are very different when viewed macroscopically, at the molecular level unifying chemical and physical phenomena emerge.

First-principles simulations based on density functional theory (DFT) allow this reactivity to be probed at the molecular scale, providing insight and guidance for the development of improved catalytic materials and processes. Understanding gained at the molecular level allows us to better control-and ultimately to tailor-chemical systems to perform functions more cleanly, efficiently, and durably. The problems we address cut across the traditional boundaries of chemical engineering, chemistry, physics, environmental science, and materials science, and our work both draws on and impacts all of these fields.


New Engineering Research Center to Focus on Challenges of Upgrading Shale Gas

September 12, 2017

Chemical engineers at the University of Notre Dame will contribute their expertise in materials development and modeling to a new research center that will focus on new methods of converting shale gas reserves into chemicals and transportation fuel.

Researchers Discover New Chemical Process that Could Reduce Nitrogen Oxides from Diesel Exhaust

August 18, 2017

Chemical engineers at the University of Notre Dame have discovered a catalytic process that could help curb emissions of nitrogen oxides from diesel-powered vehicles, a priority air pollutant that is a key ingredient in smog.

Video: From Water Purification to Better Batteries, Notre Dame Engineers are Advancing Research for the Good of the World

November 10, 2015

A new video provides an overview of our department's momentum in tackling a number of global challenges — energy, environment, sustainability, and water.