Sanwu Wang - Faculty & Adjuncts

Sanwu Wang, PhD

Sanwu Wang, PhD
Department Graduate Programs Advisor
Professor of Physics and Engineering Physics
College of Engineering & Natural Sciences
Physics and Engineering Physics
918-631-3022 Keplinger Hall Room 1175


PhD – University of Newcastle

Research Interests

Condensed Matter Theory
Quantum Mechanics
Materials Theory
Nanoscience and Nanotechnology
Large-scale Calculations and Simulations
Electronic Materials
Catalytic Materials
Mechanical Materials

Teaching Interests

Any theoretical physics course


Journal Articles

  • Liu , S.-Y., S. Liu, S. Liu, D.-J. Li, D. Shah, R. Leng, and S. Wang. Phase Transitions and Superconductivity of Iron-Based Superconductors from First-Principles. Vol. 384, Physics Letters A, 2020, p. 126345.
  • Zhao , Z., R. Bababrik, W. Xue, Y. Li, B. Nicholas, N. Dieu-Thy, N. Umi, S. Crossley, S. Wang, B. Wang, and D. Resasco. Solvent-Mediated Charge Separation Drives Alternative Hydrogenation Path of Furanics in Liquid Water. Vol. 2, Nature Catalysis, 2019, pp. 431-6.
  • Xue , S., D. Teeters, D. Crunkleton, and S. Wang. Ab Initio Calculations for Crystalline PEO6:LiPF6 Polymer Electrolytes. Vol. 160, Computational Materials Science, 2019, pp. 173-9.
  • Liu , Z., I. Hamad, Y. Li, Y. Chen, S. Wang, R. Jentoft, and F. Jentoft. Poisoning and Competitive Adsorption Effects During Phenol Hydrogenation on Platinum in Water-Alcohol Mixtures. Vol. 585, Applied Catalysis A: General, 2019, p. 117199.
  • Li , Y., Z. Liu, Y. Liu, S. Crossley, F. Jentoft, and S. Wang. Hydrogenation of O-Cresol at the Water/Pt(111) Interface. Vol. 123, The Journal of Physical Chemistry C, 2019, pp. 5378-84.
  • Liu , S.-Y., Q.-Y. Chen, S. Liu, D.-J. Li, Y. Li, Y. Liu, and S. Wang. Electronic Structures and Transition Temperatures of High-Tc Cuprate Superconductors from First-Principles Calculations and Landau Theory. Vol. 764, Journal of Alloys and Compounds, 2018, pp. 869-80.
  • Li , Y., Z. Liu, S. Crossley, F. Jentoft, and S. Wang. Effect of Hydrogen Coverage on Hydrogenation of O-Cresol on Pt(111). Vol. 443, Applied Surface Science, 2018, pp. 575-80.
  • S. Xue, Y. Liu, Y. Li, D. Teeters, D.W. Crunkleton, S. Wang, “Diffusion of lithium ions in amorphous and crystalline poly(ethylene oxide)3:LiCF3SO3 polymer electrolytes,” Electrochimica Acta 235, 122 (2017).

  • S.-Y. Liu, Y. Meng, S. Liu, D.-J. Li, Y. Li, Y. Liu, Y. Shen, S. Wang, “Phase stability and superconductivity properties of the BaPb1-xBixO3 and Ba1-xKxBiO3 perovskites,” Journal of the American Ceramic Society 100, 1221 (2017).

  • Liu , S.-Y., Y. Meng, S. Liu, D.-J. Li, Y. Li, Y. Liu, Y. Shen, and S. Wang. Compositional Phase Diagram and Microscopic Mechanism of Ba1−xCaxZryTi1−yO3 Relaxor Ferroelectrics. Vol. 19, Physical Chemistry Chemical Physics, 2017, pp. 22190-6.
  • Liu , Y., J. Dang, Y. Li, P. Charoensuppanimit, S. Mohammad, K. Gasem, and S. Wang. Sequestration of Carbon Dioxide in Coal: Energetics and Bonding from First-Principles Calculations. Vol. 133, Computational Materials Science, 2017, pp. 145-51.
  • Liu , Y., Z. Liu, W. Xue, S. Crossley, F. Jentoft, and S. Wang. Hydrogenation of O-Cresol on Platinum Catalyst: Catalytic Experiments and First-Principles Calculations. Vol. 393, Applied Surface Science, 2017, pp. 212-20.
  • S.-Y. Liu, E. Zhang, S. Liu, D.-J. Li, Y. Li, Y. Liu, W. Xue, Y. Shen, S. Wang, “Composition- and pressure-induced relaxor ferroelectrics: First-principles calculations, multiphase model, and Landau-Devonshire theory,” Journal of the American Ceramic Society 99, 3336 (2016).

  • Sha Xue, Yingdi Liu, Hongli Dang, Yaping Li, Daniel W. Crunkleton, Dale Teeters, and Sanwu Wang, “Ab Initio Calculations of the Atomic and Electronic Structure of Crystalline PEO:LiCF3SO3 Electrolytes,” Computational Materials Science 112 (2016) 170-174.

  • Liu , S.-Y., S. Liu, D.-J. Li, S. Wang, J. Guo, and Y. Shen. Ab Initio Atomistic Thermodynamics Study on the Oxidation Mechanism of Binary and Ternary Alloy Surfaces. Vol. 142, The Journal of chemical physics, 2015, p. 064705.
  • J. Guo, Z.J. Liu, S. Wang, Y.G. Shen, “Enhancement of thermal stability by microstructural refinement in nanocomposite materials,” Scripta Materialia 87, 33 (2014).

  • H.L. Dang, Y.D. Liu, W.H. Xue, R. Anderson, C.R. Sewell, S. Xue, D.W. Crunkleton, Y.G. Shen, S. Wang, “Phase transformations of nano-sized cubic boron nitride to white graphene and white graphite,” Applied Physics Letters 104, 093104 (2014).

  • Wang , S. Structure, Phase Transition, and Electronic Properties of K1-XNaxNbO3 Solid Solutions from First-Principles Theory. 2014.
  • S.-Y. Liu, S. Liu, D.-J. Li, H. Dang, Y. Liu, S. Xue, W. Xue, S. Wang, “Bonding, stability, and electronic properties of the BC3 honeycomb monolayer structure on NbB2(0001),” Physical Review B 88, 115434 (2013).

  • J. Guo, Z.J. Liu, S. Wang, Y.G. Shen, “Grain refining effect of energy competition and amorphous phase in nanocomposite materials,” Scripta Materialia 69, 662 (2013).

  • S.-Y. Liu, J.-X. Shang, F.-H. Wang, S. Liu, Y. Zhang, D. Li, D. Shields, W. Xue, Y. Liu, H. Dang, S. Wang, “Oxidation of the two-phase Nb/Nb5Si3 composite: The role of energetics, thermodynamics, segregation, and interfaces,” Journal of Chemical Physics 138, 014708 (2013).

  • N. Qin, S.-Y. Liu, Z. Li, H. Zhao, S. Wang, “First-principles studies for the stability of graphene-like boron layer on CrB2(0001) and MoB2(0001),” Journal of Physics: Condensed Matter 23, 225501 (2011).

  • T. Juwono, P.A. Rikvold, I.A. Hamad, S. Wang, “Parameter estimation for a lattice-gas model of Br and Cl electrosorption on Ag(100),” Journal of Electroanalytical Chemistry 662, 130 (2011).

  • Y. Liu, M.R. Halfmoon, C.A. Rittenhouse, S. Wang, “Passivation effects of fluorine and hydrogen at the SiC-SiO2 interface,” Applied Physics Letters 97, 242111 (2010).

  • H.L. Dang, R. Gudipati, Y. Liu, Y. Li, Y.D. Liu, H.L. Peterson, M.F. Chisholm, T. Biggerstaff, G. Duscher, S. Wang, “Carbon clusters as possible defects in the SiC-SiO2 interface,” Journal of Computational and Theoretical Nanoscience 6, 1305 (2009).

  • J. Rozen, S. Dhar, S.K. Dixit, V.V. Afanas’ev, F.O. Roberts, H.L. Dang, S. Wang, S.T. Pantelides, J.R. Willimas, L.C. Feldman, “Increase in oxide hole trap density associated with nitrogen incorporation at the SiO2/SiC interface,” Journal of Applied Physics 103, 124513 (2008).

  • S. Wang, S. Dhar, S.-R. Wang, A. Franceschetti, A.C. Ahyi, J.R. Williams, L.C. Feldman, S.T. Pantelides, “Bonding at the SiC-SiO2 interface and the effects of nitrogen and hydrogen,” Physical Review Letters 98, 026101 (2007).

  • A.Y. Borisevich, S. Wang, S.N. Rashkeev, M. Glazoff, S.J. Pennycook, S.T. Pantelides, “Dual nanoparticle/substrate control of catalytic dehydrogenation,” Advanced Materials 19, 2129 (2007).

  • D.M. Fleetwood, M.P. Rodgers, L. Tsetseris, X.J. Zhou, I. Batyrev, S. Wang, R.D. Schrimpf, S.T. Pantelides, “Effects of device aging on microelectronics: Radiation response and reliability,” Microelectronics Reliability 47, 1075 (2007).

  • S. Wang, R. Gudipati, A.S. Rao, T.J. Bostelmann, Y.G. Shen, “First-principles calculations for the elastic properties of nanostructured superhard TiN/SixNy superlattices,” Applied Physics Letters 91, 081916 (2007).

  • H.F. Ma, Z.H. Qin, M.C. Xu, D.X. Shi, H.-J. Gao, S. Wang, S.T. Pantelides, “Formation and evolution of a self-organized hierarchy of Ge nanostructures on Si(111)-(7X7): STM observations and first-principles calculations,” Physical Review B 75, 165403 (2007).

  • Z.H. Qin, D.X. Shi, H.F. Ma, H.-J. Gao, A.S. Rao, S. Wang, S.T. Pantelides, “STM observation and first-principles determination of Ge nanoscale structures on Si(111),” Physical Review B 75, 085313 (2007)

  • J. Rozen, S. Dhar, S.T. Pantelides, L.C. Feldman, S. Wang, J.R. Willimas, V.V. Afanas’ev, “Suppression of interface state generation upon electron injection in nitrided oxides grown on 4H-SiC,” Applied Physics Letters 91, 153503 (2007).

  • L. Tsetseris, S. Wang, S.T. Pantelides, “Thermal donor formation processes in silicon and the catalytic role of hydrogen,” Applied Physics Letters 88, 051916 (2006).

  • S.K. Dixit, S. Dhar, J. Rozen, S. Wang, R.D. Schrimpf, D.M. Fleetwood, S.T. Pantelides, J.R. Williams, L.C. Feldman, “Total dose radiation response of nitrided and non-nitrided SiO2/4H-SiC MOS capacitors,” IEEE Transactions on Nuclear Sciences 53, 3687 (2006).

  • Y.L. Wang, H.-J. Gao, H.M. Guo, S. Wang, S.T. Pantelides, “Bonding configurations and collective patterns of Ge atoms adsorbed on Si(111)-7X7,” Physical Review Letters 94, 106101 (2005).

  • M.P. Rodgers, D.M. Fleetwood, R.D. Schrimpf, I.G. Batyrev, S. Wang, S.T. Pantelides, “The effects of aging on MOS irradiation and annealing response,” IEEE Transactions on Nuclear Science 52, 2642 (2005).

  • S. Wang, A.Y. Borisevich, S.N. Rashkeev, M.V. Glazoff, K. Sohlberg, S.J. Pennycook, S.T. Pantelides, “Dopants adsorbed as single atoms prevent degradation of catalysts,” Nature Materials 3, 143 (2004). Erratum: Nature Materials 3, 274 (2004).

  • S. Wang, Y.Z. Cao, P.A. Rikvold, “First-principles calculations for the adsorption of water molecules on the Cu(100) surface,” Physical Review B 70, 205410 (2004). Erratum: Physical Review B 73, 089901(E) (2006).

  • S. Wang, M. Di Ventra, S.-G. Kim, S.T. Pantelides, “Atomic-scale dynamics of the formation and dissolution of carbon clusters in SiO2,” Physical Review Letters 86, 5946 (2001).

  • S. Wang, M.W. Radny, P.V. Smith, “First-principles electronic structure studies for the cluster modeled Si(111) chemisorption system,” Journal of Chemical Physics 114, 436 (2001).

  • S. Wang, “Generalization of the Thomas-Reiche-Kuhn and the Bethe sum rules,” Physical Review A 60, 262 (1999).

  • S. Wang, M.W. Radny, P.V. Smith, “Mechanisms for stability of Al and B adatoms on the Si(111)-rt3Xrt3R30-degrees surface,” Physical Review B 59, 1594 (1999).

  • S. Wang, M.W. Radny, P.V. Smith, “Segregation of boron on the cluster modeled Si(111)-rt3Xrt3R30-B hydrogenated surface,” Physical Review B 56, 3575 (1997).

Conference Proceedings

  • J. Rozen, S. Dhar, S. Wang, V.V. Afanas’ev, S.T. Pantelides, J.R. Willimas, L.C. Feldman, “Impact of nitridation on negative and positive charge buildup in SiC gate oxides,” Materials Science Forum 600-603, 803 (2009).

  • T.L. Biggerstaff, R.D. McClellan, A. Lelis, T. Zheleva, S. Haney, A. Agarwal, W. Windl, S. Wang, G. Duscher, “Characterization of the origin of band states in the SiC/SiO2 interface,” in Semiconductor Device Research Symposium, 2007 International (ISBN: 978-1-4244-1892-3) (2007).

  • S.T. Pantelides, S. Wang, A. Franceschetti, R. Buczko, M. Di Ventra, S.N. Rashkeev, L. Tsetseris, M.H. Evans, I.G. Batyrev, L.C. Feldman, S. Dhar, K. McDonald, R.A. Weller, R.D. Schrimpf, D.M. Fleetwood, X.J. Zhou, J.R. Williams, C.C. Tin, G.Y. Chung, T. Isaacs-Smith, S.R. Wang, S.J. Pennycook, G. Duscher, K. Van Benthem, L.M. Porter, “Si/SiO2 and SiC/SiO2 Interfaces for MOSFETs – Challenges and Advances,” Materials Science Forum 527-529, 935 (2006).

  • A.Y. Borisevich, A.R. Lupini, S.N. Rashkeev, S. Wang, G.M. Veith, N.J. Dudney, S.T. Pantelides, S.J. Pennycook, “Aberration-corrected STEM for understanding of the catalytic mechanisms and development of new catalysis,” Microscopy and Microanalysis 11, Supplement S02, 218 (2005).

  • A.Y. Borisevich, S. Wang, S.N. Rashkeev, S.T. Pantelides, K. Sohlberg, S.J. Pennycook, “Single-atom sensitivity for solving catalysis problems,” Microscopy and Microanalysis 10, S02, 460 (2004).

  • S.T. Pantelides, R. Buczko, M. Di Ventra, S. Wang, S.-G. Kim, S.J. Pennycook, G. Duscher, L.C. Feldman, K. McDonald, R.K. Chanana, R.A. Weller, J.R. Williams, G.Y. Chung, C.C. Tin, T. Isaaxs-Smith, “Bonding, defects, and defect dynamics in the SiC-SiO2 system,” Materials Research Society Symposium Proceedings Vol. 640, edited by A.K. Agarwal, J.A. Cooper, Jr., E. Janzen, M. Skowronski (Materials Research Society, Warrendale, Pennsylvania, 2001).

Book Chapters

  • S.J. Mitchell, S. Wang, P.A. Rikvold, G. Brown, “First-principles parameter estimation for dynamical Monte Carlo of a lattice-gas model,” in Computer Simulation Studies in Condensed Matter Physics XIV, edited by D.P. Landau, S.P. Lewis, and H.B. Schüttler (Springer, Berlin, 2001).

Courses Taught

  • General Physics II
  • Quantum Mechanics II
  • Research and Dissertation
  • Quantum Mechanics I
  • Senior Thesis
  • Independent Study
  • Classical Mechanics
  • General Physics III
  • Advanced Quantum Mechanics

Professional Affiliations

  • The American Physical Society
  • Overseas Chinese Physics Association
  • Sigma Xi, the Scientific Research Society

Awards & Honors

  • Ralph E. Powe Junior Faculty Enhancement Award
  • Zelimir Schmidt Award for Outstanding Research