Cover Images:
Journal Publications:
See my pages at Google Scholar or ResearcherID for citation information.
29. “Pseudocapacitive Hausmannite Nanoparticles with (101) Facets: Synthesis, Characterization, and Charge-Transfer Mechanism”, Yeager MP, Du W, Wang Q, Deskins NA, Sullivan M, Bishop B, Su D, Xu W, Senanayake SD, Si R, Hanson J, Teng X, ChemSusChem, In Press, 2013 doi:10.1002/cssc.201300027
28. “Inhibitive Influence of Oxygen Vacancies for Photoactivity on TiO2(110)”, Wang ZT, Deskins NA, Henderson MA, Lyubinetsky I, Physical Review Letters, 109 (26), 266103, 2012 doi:10.1103/PhysRevLett.109.266103
27. “Immobilization Mechanisms of Deoxyribonucleic Acid (DNA) to Hafnium Dioxide (HfO2) Surfaces for Biosensing Applications”, Fahrenkopf NM, Rice PZ, Bergkvist M, Deskins NA, Cady NC, ACS Applied Materials & Interfaces, 4 (10), 5360-5368, 2012 doi:10.1021/am3013032
26. “Detailing Ionosorption over TiO2, ZrO2, and HfO2 from First Principles”, Garcia JC, Deskins NA, The Journal of Physical Chemistry C, 116 (31), 16573-16581, 2012 doi:10.1021/jp3043285
25. “Iridium–Ruthenium Alloyed Nanoparticles for the Ethanol Oxidation Fuel Cell Reactions”, Du WX, Deskins NA, Su D, Teng XW, ACS Catalysis, 2 (6), 1226-1231, 2012 doi:10.1021/cs3002308
24. “Palladium-Tin Alloyed Catalysts for the Ethanol Oxidation Reaction in an Alkaline Medium”, Du WX, Mackenzie KE, Milano DF, Deskins NA, Su D, Teng XW, ACS Catalysis, 2 (2), 287-297, 2012 doi:10.1021/cs2005955
23. “Direct Imaging of Site-Specific Photocatalytic Reactions of O2 on TiO2(110)”, Wang ZT, Deskins NA, Lyubinetsky I, Journal of Physical Chemistry Letters, 3 (1), 102-106, 2012 doi:10.1021/jz2014055
22. “Hydrogen Reactivity on Highly-Hydroxylated TiO2(110) Surfaces Prepared via Carboxylic Acid Adsorption and Photolysis”, Du Y, Petrik NG, Deskins NA, Wang Z, Henderson MA, Kimmel GA, Lyubinetsky I, Physical Chemistry Chemical Physics, 14 (9), 3066-3074, 2012 doi:10.1039/C1CP22515D
21. “Highly Active Iridium/Iridium-Tin/Tin Oxide Heterogeneous Nanoparticles as Alternative Electrocatalysts for the Ethanol Oxidation Reaction”, Du W, Wang Q, Saxner D, Deskins NA, Su D, Krzanowski JE, Frenkel AI, Teng X, Journal of the American Chemical Society, 133 (38), 15172-15183, 2011 doi:10.1021/ja205649z
20. “Distribution of Ti3+ Surface Sites in Reduced TiO2“, Deskins NA, Rousseau R, Dupuis M, Journal of Physical Chemistry C, 115, 7562-7572, 2011 doi:10.1021/jp2001139
19. “Generation of Organic Radicals During Photocatalytic Reactions on TiO2”, Henderson MA, Deskins NA, Zehr RT, Dupuis M, Journal of Catalysis, 279, 205-212, 2011 doi:10.1016/j.jcat.2011.01.021
18. “Photochemistry of 1,1,1-Trifluoroacetone on Rutile TiO2(110)”, Zehr RT, Deskins NA, Henderson MA, Journal of Physical Chemistry C, 114, 16900-16908, 2010 doi:10.1021/jp910507k
17. “Water Interactions with Terminal Hydroxyls on TiO2(110)”, Du Y, Deskins NA, Zhang Z, Dohnálek Z, Dupuis M, Lyubinetsky I, Journal of Physical Chemistry C, 114, 17080-17084, 2010 doi:10.1021/jp1036876
16. “Formation of O Adatom Pairs and Charge Transfer upon O2 Dissociation on Reduced TiO2(110)”, Du Y, Deskins NA, Zhang Z, Dohnálek Z, Dupuis M, Lyubinetsky I, Physical Chemistry Chemical Physics, 12, 6337-6344, 2010 doi:10.1039/C000250J
15. “Adsorption States and Mobility of Trimethylacetic Acid Molecules on the Reduced TiO2(110) Surface”, Lyubinetsky I, Deskins NA, Du Y, Vestergaard EK, Kim DJ, Dupuis M, Physical Chemistry Chemical Physics, 12, 5986-5992, 2010 doi:10.1039/B921921H
14. “Defining the Role of Excess Electrons in the Surface Chemistry of TiO2”, Deskins NA, Rousseau R, Dupuis M, Journal of Physical Chemistry C, 114, 5891-5897, 2010 doi:10.1021/jp101155t
13. “Localized Electronic States from Surface Hydroxyls and Polarons in TiO2(110)”, Deskins NA, Rousseau R, Dupuis M, Journal of Physical Chemistry C, 113, 14583-14586, 2010 doi:10.1021/jp9037655
12. “Adsorption and diffusion of a single Pt atom on γ-Al2O3”, Deskins NA, Mei D, Dupuis M, Surface Science, 603, 2793-2807, 2009 doi:10.1016/j.susc.2009.07.021
11. “Ti 3p electrons: Core or valence?”, Deskins NA, Chemical Physics Letters, 471, 75-79, 2009 doi:10.1016/j.cplett.2009.02.011
10. “Two Pathways for Water Interaction with Oxygen Adatoms on TiO2(110)”, Du Y, Deskins NA, Zhang Z, Dohnálek Z, Dupuis M, Lyubinetsky I, Physical Review Letters, 102, 096102, 2009 doi:10.1103/PhysRevLett.102.096102
9. “Intrinsic Hole Migration Rates in TiO2 from Density Functional Theory”, Deskins NA, Dupuis M, Journal of Physical Chemistry C, 113, 346-458, 2009 doi:10.1021/jp802903c
8. “Imaging Consecutive Steps of O2 Reaction with Hydroxylated TiO2(110): Identification of HO2 and Terminal OH Intermediates”[Cover Article], Du Y, Deskins NA, Zhang Z, Dohnálek Z, Dupuis M, Lyubinetsky I, Journal of Physical Chemistry C, 113, 666-671, 2009. Highlighted in Chemical & Engineering News (C&EN) December 15, 2008 doi:10.1021/jp807030n
7. “A Shell Model for Atomistic Simulation of Charge Transfer in Titania”, Kerisit S, Deskins NA, Rosso KM, Dupuis M, Journal of Physical Chemistry C, 112, 7678-7688, 2008 doi:10.1021/jp8007865
6. “Density Functional Theory Study of Methanol Decomposition on the CeO2(110) Surface”, Mei D, Deskins NA, Dupuis M, Ge Q, Journal of Physical Chemistry C, 112, 4257-4266, 2008 doi:10.1021/jp710484b
5. “A Density Functional Theory Study of Formaldehyde Adsorption on Ceria”, Mei D, Deskins NA, Dupuis M, Surface Science, 601, 4993-5001, 2007 doi:10.1016/j.susc.2007.08.027
4. “Methanol Adsorption on the Clean CeO2(111) Surface: A Density Functional Theory Study”, Mei D, Deskins NA, Dupuis M, Ge Q, Journal of Physical Chemistry C, 111, 10514-10522, 2007 doi:10.1021/jp072181y
3. “Molecular Dynamics Characterization of Rutile-Anatase Interfaces” [Cover Article], Deskins NA, Kerisit S, Rosso KM, Dupuis M, Journal of Physical Chemistry C, 111, 9290-9298, 2007 doi:10.1021/jp0713211
2. “Electron Transport via Polaron Hopping in Bulk TiO2: A Density Functional Theory Characterization”, Deskins NA, Dupuis M, Physical Review B, 75, 195212, 2007 doi:10.1103/PhysRevB.75.195212
1. “Lifting the Pt(100) Surface Reconstruction Through Oxygen Adsorption: A Density Functional Theory Analysis”, Deskins NA, Lauterbach J, Thomson K, Journal of Chemical Physics, 122, 184709, 2005 doi:10.1063/1.1893718
Presentations:
23. “Characterization and Reactivity of External Surface OH Species in Zeolites”, Oral Presentation, New England Catalysis Society, November 2012, Worcester, MA
22. “Characterization and Reactivity of External Surface OH Species in Zeolites”, Oral Presentation, American Institute of Chemical Engineers 2012 Annual Meeting, Pittsburgh
21. “Theoretical Insights on the Role of Defects in TiO2 Surface Chemistry”, Oral Presentation, American Institute of Chemical Engineers 2012 Annual Meeting, Pittsburgh
20. “Ir-M Alloy Catalysts for Direct Ethanol Fuel Cells”, Oral Presentation, American Institute of Chemical Engineers 2012 Annual Meeting, Pittsburgh
19. “Molecular Modeling of Catalyst Materials”, Invited Talk, Clark University, Chemistry Department, October 2011, Worcester, MA
18. “Molecular Modeling of Catalyst Materials”, Invited Talk, University of Massachusetts Amherst, Chemical Engineering Department, October 2011, Amherst, MA
17. “Molecular Modeling of Catalyst Materials”, Invited Talk, University of New Hampshire, Chemistry Department, September 2011, Durham, NH
16. “Molecular Modeling of Catalyst Materials”, Invited Talk, University of Utah, Chemical Engineering Department, September 2011, Salt Lake City, UT
15. “Modeling of Metal Oxide Catalysts”, Oral Presentation, New England Catalysis Society, April 2011, Worcester, MA
14. “Modeling External Surfaces of Zeolite LTA”, Poster Presentation, Gordon Conference on Chemical Reactions at Surfaces, February 2011, Ventura, CA
13. “Modeling Defects in TiO2 and their Importance in Surface Chemistry”, Oral Presentation, American Institute of Chemical Engineers Annual Meeting, November 2010, Salt Lake City UT
12. “Modeling Charge Transfer in TiO2 Surfaces”, Poster Presentation, Centre Européen de Calcul Atomique et Moléculaire (CECAM) Workshop on “Titania for all seasons: Multifunctionality of an undercover semiconductor”, September 2010, Bremen Germany
11. “Nature of Excess Electrons in TiO2 and their Role in Surface Reactions”, Oral Presentation, American Chemical Society Fall National Meeting, August 2010, Boston MA
10. “Molecular Modeling of Catalysis”, Oral Presentation, NSF US-China Workshop on “Energy and Environment: Research Opportunities and Challenges for Chemical Engineers”, June 2010, Durham NH
9. “Surface Reactions of O2/H2O over TiO2 (110): Insights from Theory and Experiment” , Oral Presentation, American Chemical Society Spring 2009 National Meeting, Salt Lake City
8. “Photocatalysis over TiO2: Insights from Theory”, Poster, Gordon Research Conference on Chemical Reactions at Surfaces, February 2009, Ventura, CA
7. “Computational Chemistry as a Tool for Understanding Catalytic Processes over Oxide Surfaces” , Invited Speaker, Gordon Research Conference on Hydrocarbon Resources, January 2009, Ventura, CA
6. “Unique Hydrogen Configuration on TiO2 (110) upon Carboxylic Acid Dissociation”, Deskins NA, Langell M, Dupuis M, Lyubinetsky I, Du Y, Henderson M, Oral Presentation, American Institute of Chemical Engineers 2007 Annual Meeting, Salt Lake City
5. “Adsorption and Diffusion of Transition Metal Clusters over γ-Alumina”, Deskins NA, Mei D, Dupuis M, Oral Presentation, American Institute of Chemical Engineers 2007 Annual Meeting, Salt Lake City
4. “Electron Transport Study of TiO2”, Deskins NA, Dupuis M, Oral Presentation, American Chemical Society Fall 2006 National Meeting, San Francisco
3. “Density Functional Study of Adsorbates and Cationic Metal/Ceria Surfaces”, Deskins NA, Phatak A, Ribeiro F, Thomson K., Oral Presentation, American Institute of Chemical Engineers 2005 Annual Meeting, Cincinnati
2. “A Computational Study: Oxygen and Pt(100) Interactions”, Deskins NA, Lauterbach J, Thomson K, Oral Presentation, American Institute of Chemical Engineers 2003 Annual Meeting, San Francisco
1. “Theoretical Investigation of CO Oxidation over Pt(100)”, Deskins NA, Lauterbach J, Thomson K, Poster, American Institute of Chemical Engineers 2002 Annual Meeting, Indianapolis