Pitt | Swanson Engineering
Prof. Guofeng Wang
Mechanical Engineering & Materials Science
Wang, Guofeng
Faculty
Associate Professor
Office: 538B Benedum Hall
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Ph.D. in Materials Science (minor in Computer Science), California Institute of Technology, 2002

M.S. in Materials Science, California Institute of Technology, 1999

M.E. in Materials Science and Engineering, Tsinghua University, 1997

B.E. in Materials Science and Engineering, Tsinghua University, 1995

Bimetallic catalyst nanoparticles

Dendritic polymers

Dislocations

Thermoelectrics

ZnO nanomaterials

(2010) NSF fellowship to attend summer school "Mechanics of Soft Materials" at Northwestern University in 2010.

(2002) Silver award winner of Graduate Student Award at 2002 spring MRS meeting.

Bao, L., Zang, J., Wang, G., and Li, X.D., 2014, "Atomic-scale imaging of cation ordering in inverse spinel Zn2SnO4 nanowires," Nano Letters, Manuscript submitted for publication.

FAng, H.Z., Fang, H.Z., Shang, S.L., Wang, Y., Liu, Z.K., Alman, D.E., Shin, Y.K., Zou, C.Y., van Duin, A.C., Lei, Y., and Wang, G., 2014, "First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques," Journal of Applied Physics, vol.115, no.043501.

Kattel, S., and Wang, G., 2014, "Beneficial compressive strain for oxygen reduction reaction on Pt (111) surface," Journal of Chemical Physics, vol.141, no.2014, p. 124713.

Liu, K., Lei, Y., and Wang, G., 2014, "Reaction pathway for oxygen reduction on FeN4 embedded graphene," Journal of Physical Chemistry, vol.5, pp. 452-456.

Duan, Z., and Wang, G., 2013, "Comparison of reaction energetic for oxygen reduction reactions on Pt(100), Pt(111), Pt/Ni(100), and Pt/Ni(111) surfaces: A first-principles study," Journal of Physical Chemistry C, vol.117, pp. 6284-6292.

Kattel, S., and Wang, G., 2013, "A density functional theory study of oxygen reduction reaction on Me-N4 (Me=Fe, Co, or Ni) clusters between graphitic pores," Journal of Materials Chemistry A, vol.1, pp. 10790-10797.

Kattel, S., Duan, Z., and Wang, G., 2013, "Density functional theory study of an oxygen reduction reaction on a Pt3Ti alloy electrocatalyst," Journal of Physical Chemistry C, vol.117, pp. 7107-7113.

Lei, Y., Gong, Y., Duan, Z., and Wang, G., 2013, "Density functional calculation of activation energies for lattice and grain boundary diffusion in alumina," Physical Review B, vol.97, no.214105.

Liu, K., Lei, Y., and Wang, G., 2013, ""Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes," Journal of Chemical Physics, vol.139, p. 204306.

Lv, H., Lei, Y., Datta, A., and Wang, G., 2013, "Influence of surface segregation on magnetic properties of FePt nanoparticles," Applied Physics Letters, vol.103, no.132405.

Sang, X., Kulovits, A., Wang, G., and Wiezorek, J., 2013, "Validation of density functionals for transition metals and intermetallics using data from quantitative electron diffraction," Journal of Chemical Physics, vol.138, no.084504.

Wang, G., Datta, A., and Duan, Z., 2012, "Influence of surface segregation on the elastic property of Pt-Ni alloy nanowires," Computational Materials Science, vol.55, pp. 81-84.

Wang, G., Wang, C., Li, D., Chi, J., Chi, M., Pearson, J., Rankin, R.B., Greeley, J., Duan, Z., van der Vliet, D., More, K.L., Markovic, N.M., and Stamenkovic, V.R., 2012, "Rational development of ternary alloy electrocatalysts," The Journal of Physical Chemistry Letters, vol.3, pp. 1668-1673.

He, H., Lei, Y., Xiao, C., Chu, D., Chen, R., and Wang, G., 2012, "Molecular and electronic structures of transition-metal macrocyclic complexes as related to catalyzing oxygen reduction reactions: A density functional theory study," Journal of Physical Chemistry C, vol.116, pp. 16038-16046.

Sang, X., Kulovits, A., Wang, G., and Wiezorek, J., 2012, "High precision electronic charge density determination for L10-ordered ¿-TiAl by quantitative convergent beam electron diffraction," Philosophical Magazine, vol.92, pp. 4408-4424.

Wang, G., and Duan, Z., 2011, "A first principles study of oxygen reduction on a Pt (111) surface modified by a subsurface transition metal M (M=Ni, Co, or Fe)," Physical Chemistry Chemical Physics, vol.13, pp. 20178-20187.

Wang, G., and Duan, Z., 2011, "Monte Carlo simulation of surface segregation phenomena in extended and nanoparticle surfaces of Pt-Pd alloys," Journal of Physics: Condensed Matter, vol.23, p. 475301.

Wang, G., Chen, A., Zhang, Z., Duan, Z., and Yokota, H., 2011, "Modelling the molecular transportation of subcutaneously injected salubrinal," Biomedical Engineering and Computational Biology, vol.3, pp. 25-32.

Wang, G., Wang, C., Chi, M., Li, D., Strmcnik, D., van der Vliet, D., Komanicky, V., Chang, K.C., Paulikas, A., Tripkovic, D., Pearson, J., More, K.L., Markovic, N.M., and Stamenkovic, V.R., 2011, "Design and synthesis of bimetallic electrocatalyst with multilayered Pt-skin surfaces," Journal of The American Chemical Society, vol.133, pp. 14396-14403.

Wang, G., Wang, C., Chi, M., Li, D., Strmcnik, D., van der Vliet, D., Lin, Q., Mitchel, J.F., More, K.L., Markovic, N.M., and Stamenkovic, V.R., 2011, "Synthesis of homogeneous Pt-bimetallic nanoparticles as highly efficient electrocatalysts," ACS Catalysis, vol.1, pp. 1355-1359.

Wang, G., Wang, C., Chi, M.F., van der Vliet, D., Li, D., More, K., Wang, H.H., Schlueter, J.A., Markovic, N.M., and Stamenkovic, V.R., 2011, "Correlation between surface chemistry and electrocatalytic properties of monodisperse PtxNi1-x nanoparticles," Advanced Functional Materials, vol.21, pp. 147-152.

Wang, G., Wang, C., van der Vliet, D., More, K.L., Zaluzec, N., Peng, S., Sun, S.H., Daimon, H., Greeley, J., Pearson, J., Paulikas, A., Karapetrov, G., Strmcnik, D., Markovic, N.M., and Stamenkovic, V.R., 2011, "Multimetallic Au/FePt3 nanoparticles as high durable electrocatalyst," Nano Letters, vol.11, pp. 919-926.

Wang, G., Yang, Y., and Li, X.D., 2011, "Water molecule-induced stiffening in ZnO nanobelts," Nano Letters, vol.11, pp. 2845-2848.

Wang, G., Zhang, Y., Duan, Z., and Xiao, C., 2011, "Density functional theory calculation of platinum surface segregation energy in Pt3Ni (111) surface doped with a third transition metal," Surface Science, vol.605, pp. 1574-1579.

Wang, G., Zhong, L., Liu, Z.H., Mao, S.X., and Huang, J.Y., 2011, "Multiple-stripe Lithiation mechanism of individual SnO2 nanowires in a flooding geometry," Physical Review Letters, vol.106, p. 248302.

Wang, G., Duan, Z., and Zhong, J., 2010, "Modeling surface segregation phenomena in the (111) surface of ordered Pt3Ti crystal," Journal of Chemical Physics, vol.133, p. 114701.

Wang, G., Wang, C., van der Vliet, D., Chang, K.C., Markovic, N.M., and Stamenkovic, V.R., 2010, "Monodisperse Pt3Co nanoparticles as electrocatalyst: the effect of particle size and pretreatment on electrocatalytic reduction of oxygen," Physical Chemistry Chemical Physics, vol.12, pp. 6933-6939.

Wang, G., Chen, R., Li, H., and Chu, D., 2009, "Unraveling oxygen reduction reaction mechanisms on carbon-supported Fe-phthalocyanine and Co-phthalocyanine catalysts in alkaline solutions," Journal of Physical Chemistry, vol.113, pp. 20689-20697.

Wang, G., Kart, H.H., Karaman, I., and Cagin, T., 2009, "Molecular dynamics study of the coalescence of equal and unequal sized Cu nanoparticles," International Journal of Modern Physics C, vol.20, pp. 179-196.

Wang, G., Sun, Y., Liang, J., Xu, Z.H., and Li, X.D., 2009, "In situ observation of small-scale deformation in a lead-free solder alloy," Journal of Electronic Materials, vol.38, pp. 400-409.

Wang, G., and Li, X.D., 2008, "Predicting Young's modulus of nanowires from first-principles calculations on their surface and bulk materials," Journal of Applied Physics, vol.104, p. 113517.

Wang, G., Fowler, B., Lucas, C.A., Omer, A., Stamenkovic, V.R., and Markovic, N.M., 2008, "Segregation and stability at Pt3Ni(111) surfaces and Pt75Ni25 nanoparticles," Electrochimica Acta, vol.53, pp. 6076-6080.

Wang, G., Ramesh, N., Hsu, A., Chu, D., and Chen, R., 2008, "Density functional theory study of the adsorption of oxygen molecule on Iron phthalocyanine and Cobalt phthalocyanine," Molecular Simulation, vol.34, pp. 1051-1056.

Wang, G., Sun, Y., Liang, J., Xu, Z.H., and Li, X.D., 2008, "Nanoindentation for measuring individual phase mechanical properties of lead free solder alloy," Journal of Materials Science - Materials in Electronics, vol.19, pp. 514-521.

Wang, G., and Cagin, T., 2007, "Electronic structure of thermoelectric materials Bi2Te3 and Sb2Te3 from first-principles calculations," Physical Review B, vol.76, p. 075201.

Wang, G., and Li, X.D., 2007, "Size dependency of the elastic modulus of ZnO nanowires: Surface stress effect," Applied Physics Letters, vol.91, p. 231912.

Wang, G., Baskes, M.I., Hu, S.Y., Valone, S.M., and Lawson, A.C., 2007, "Atomistic simulations of Ga atom ordering in Pu 5 at.% Ga alloys," Journal of Computer-Aided Materials Design, vol.14, pp. 379-388.

Wang, G., Stamenkovic, V.R., Fowler, B., Mun, B.S., Ross, P.N., Lucas, C.A., and Markovic, N.M., 2007, "Improved oxygen reduction activity on Pt3Ni(111) via increased surface site availability," Science, vol.315, p. 493.

Wang, G., Stamenkovic, V.R., Mun, B.S., Mayrhofer, K.J., Lucas, C.A., Ross, P.N., and Markovic, N.M., 2007, "Trends in electrocatalysis: from extended to nanoscale surfaces," Nature Materials, vol.6, p. 241.

Wang, G., and Cagin, T., 2006, "Investigation of effective mass of carriers in Bi2Te3/Sb2Te3 superlattices via electronic structure studies on its component materials," Applied Physics Letters, vol.89, p. 152101.

Wang, G., Lillard, R.S., and Baskes, M.I., 2006, "The role of metallic bonding in the crystallographic pitting of Magnesium," Journal of The Electrochemical Society, vol.153, B358-B364.

Wang, G., Van Hove, M.A., Ross, P.N., and Baskes, M.I., 2005, "Monte Carlo simulations of segregation in Pt-Ni catalyst nanoparticles," Journal of Chemical Physics, vol.122, p. 024706.

Wang, G., Van Hove, M.A., Ross, P.N., and Baskes, M.I., 2005, "Quantitative prediction of surface segregation in bimetallic Pt-M alloy nanoparticles (M=Ni, Re, Mo)," Progress in Surface Science, vol.79, pp. 28-45.

Wang, G., Van Hove, M.A., Ross, P.N., and Baskes, M.I., 2005, "Surface structures of cubo-octahedral Pt-Mo catalyst nanoparticles from Monte Carlo simulations," The Journal of Physical Chemistry B, vol.109, p. 11683.

Wang, G., Maiti, P.K., Cagin, T., and Goddard III, W.A., 2004, "Structure of PAMAM dendrimers: Generation 1 through 11," Macromolecules, vol.37, pp. 6236-6254.

Wang, G., Strachan, A., Cagin, T., and Goddard III, W.A., 2004, "Calculating the Peierls energy barrier and Peierls stress from atomistic simulations of screw dislocation dynamics: application to bcc Tantalum," Modelling and Simulation in Materials Science and Engineering, vol.12, S371-S389.

Wang, G., Van Hove, M.A., Ross, P.N., and Baskes, M.I., 2004, "Monte Carlo simulations of segregation in Pt-Re catalyst nanoparticles," Journal of Chemical Physics, vol.121, pp. 5410-5422.

Wang, G., Strachan, A., Cagin, T., and Goddard III, W.A., 2003, "Atomistic simulations of kinks in 1/2a<111> screw dislocations in Tantalum," Physical Review B, vol.68, p. 224101.

Wang, G., Strachan, A., Cagin, T., and Goddard III, W.A., 2003, "Role of core polarization curvature of screw dislocations in determining the Peierls stress in bcc Ta - a new criterion for designing high performance materials," Physical Review B, vol.67, 140101(R).

Wang, G., Cagin, T., Martin, R., Zamanakos, G., Vaidehi, N., Mainz, D.T., and Goddard III, W.A., 2001, "Multiscale modeling and simulation methods with applications to dendritic polymers," Computational and Theoretical Polymer Science, vol.11, pp. 345-356.

Wang, G., Cuitino, A.M., Stainier, L., Strachan, A., Cagin, T., Goddard III, W.A., and Ortiz, M., 2001, "A multiscale approach for modeling crystalline solids," Journal of Computer-Aided Materials Design, vol.8, pp. 127-149.

Wang, G., Strachan, A., Cagin, T., and Goddard III, W.A., 2001, "Kinks in the a/2<111> screw dislocation in Ta," Journal of Computer-Aided Materials Design, vol.8, pp. 117-125.

2001, "Molecular dynamic simulations of a/2<111> screw dislocations in Ta," Materials Science and Engineering: A, vol.310, pp. 133-137.

Wang, G., Cagin, T., Martin, R., Breen, N., and Goddard III, W.A., 2000, "Molecular modelling of dendrimers for nanoscale applications," Nanotechnology, vol.11, pp. 77-84.

Wang, G., Chen, X., Gao, T., and Chen, H., 1998, "The strength and wear resistance of metal reinforced carbon matrix composite," Proceedings of The First Asia International Conference on Tribology.

Wang, G., 2014, "Quantitative Simulation of Surface Segregation Phenomena in Metallic Alloys Using the Modified Embedded Atom Method," 143rd Annual Meeting & Exhibition (TMS2014), San Diego, California.

Wang, G., 2013, "Density functional theory study of oxygen reduction reaction on carbon supported nonprecious transition metal-nitrogen (TM-N/C) electrocatalysts," 246th ACS National Meeting & Exposition, Indianapolis, Indiana.

Wang, G., 2013, "First-principles study of oxygen reduction reaction mechanism in Pt-alloy bimetallic electrocatalysts," 245th ACS National Meeting & Exposition, New Orleans, Louisiana.

Wang, G., 2013, "Toward computational design of electrocatalysts for proton exchange membrane fuel cells," Southern University, Baton Rouge, Louisiana.

Wang, G., 2013, "Toward computational design of electrocatalysts for proton exchange membrane fuel cells," State University of New York, Binghamton, New York.

Wang, G., 2013, "Trends in electrocatalysis: From extended to nanoscale surfaces," 246th ACS National Meeting & Exposition, Indianapolis, Indiana.

Wang, G., 2011, "Modeling surface segregation phenomena in extended and nanoparticle surfaces of Pt alloys," 11th U.S. National Congress on Computational Mechanics, Minneapolis, Minnesota.

Wang, G., 2007, "Toward the nanoscale design of catalysts for fuel cells: A computational approach," 233rd American Chemical Society National Meeting, Chicago, Illinois.

Wang, G., 2008, "Atomic Scale Computational Simulation for Nanomaterials: An Approach to Scientific Discovery," General Motor Research Center, Warren, Michigan.