List of publications
Complete list at Google Scholar Citations


2015

  1. M. Alcantara Ortigoza, M. Aminpour, and T.S. Rahman, "Revisiting the surface properties of Mg(0001) thin films and their effect on the adatom binding energy and self-diffusion," Surf. Sci. 632, 14-19 (2015)
  2. A. Ramirez-Torres, D. Le, and T.S. Rahman, "Effect of monolayer supports on the electronic structure of single-layer MoS2," IOP Conference Series: Materials Science and Engineering (2015) To appear
  3. A. Kabir, V. Turkowski, and T.S. Rahman, "A DFT+ Nonhomogeneous DMFT approach for Finite Systems," J. Phys.: Condens. Matter (2015) To appear, preprint arXiv:1311.3147
  4. J. Katoch, D. Le, S. Singh, R. Rao, T.S. Rahman, and M. Ishigami, "Strength of the dominant scatterer in graphene on silicon oxide," Submitted (12/2014)
  5. D.T. Restrepo, K.E. Giesler, R.A. Penabe, M. Aminpour, D. Le, T.S. Rahman, and R.G. Blair, "Heterogeneous Metal-Free Hydrogenation Over Defect Hexagonal Boron Nitride," Submitted (12/2014)
  6. N. Nayyar, V. Turkowski, and T.S. Rahman, "Tuning plasmon excitations in transition metal doped arrays of nobel metal nanochains," Preprint, arXiv:1409.3472 (2015) Submitted (1/2015)
  7. V. Turkowski and T.S. Rahman, "Nonadiabatic exchange-correlation kernel for strongly correlated materials," Preprint arXiv:1409.7683 submitted (1/2015)
  8. S. Hong and T.S. Rahman, "Geometric and electronic structure and magnetic properties of Fe-Au nanoalloys: insights from ab initio calculations," submitted to Phys. Chem. Chem. Phys. (1/2015)
  9. M. Alcantara Ortigoza, R. Heid, K.-P. Bohnen, and T.S. Rahman, "A closer look at how symmetry constraints and the spin-orbit coupling shape the electronic structure of Bi(111)," Submitted to Phys. Rev. B (1/2015)
  10. N. Nayyar, D. Le, V. Turkowski, and T.S. Rahman, "Electron-phonon interaction, excitations and ultrafast photoemission from doped monolayer MoS2," Preprint arXiv:1501.07908 (2015)
  11. A. Kabir, J. Hu, V. Turkowski, R. Wu, and T.S. Rahman, "Magnetic anisotropy of FePt nanoparticles," Preprint arXiv:1409.4318

2014

  1. T. Komesu, D. Le, X. Zhang, Q. Ma, E.F. Schwier, Y. Kojima, M. Zheng, H. Iwasawa, K. Shimada, M. Taniguchi, L. Bartels, T.S. Rahman, and P.A. Dowben, "Occupied and unoccupied electronic structure of Na doped MoS2(0001)," Appl. Phys. Lett. 105, 241602 (2014)
  2. L. Kong, A. Enders, T.S. Rahman, and P.A. Dowben, "Molecular adsorption on graphene," J. Phys.: Condens. Matter 26, 443001 (2014)
  3. T. Komesu, D. Le, Q. Mac, E.F. Schwier, Y. Kojima, M. Zheng, H. Iwasawa, K. Shimada, M. Taniguchi, L. Bartels, T.S. Rahman, and P.A. Dowben, "Symmetry Resolved Surface-Derived Electronic Structure of MoS2(0001)," J. Phys.: Condens. Matter 26, 455501 (2014)
  4. M. Alcantara Ortigoza, I.Y. Sklyadneva, R. Heid, E.V. Chulkov, T.S. Rahman, K.P. Bohnen, and P.M. Echenique, "Ab initio lattice dynamics and electron-phonon coupling of Bi(111)," Phys. Rev. B 90, 195438 (2014)
  5. A. Ramirez-Torres, V. Turkowski, and T.S. Rahman, "Time-dependent density-matrix functional theory for trion excitations: Application to monolayer MoS2 and other transition-metal dichalcogenides," Phys. Rev. B 90, 085419 (2014)
  6. M. Alcantara Ortigoza, R. Heid, K.P. Bohnen, and T.S. Rahman, "Anomalously Soft and Stiff Modes of Transition-Metal Nanoparticles," J. Phys. Chem. C 118, 10335 (2014)
  7. E.A. Lewis, D. Le, A.D. Jewell, C.J. Murphy, T.S. Rahman, and E.C.H. Sykes, "Segregation of Fischer-Tropsch reactants on cobalt nanoparticle surfaces," Chem. Commun. 50, 6537 (2014)
  8. S.I. Shah, S. Hong, and T.S. Rahman, "Combined Density Functional Theory and Kinetic Monte Carlo Study of Selective Oxidation of NH3 on Rutile RuO2(110) at Ambient Pressures," J. Phys. Chem. C 118, 5226-5238 (2014)
  9. T.B. Rawal, V. Turkowski, and T.S. Rahman, "Complementary roles of benzylpiperazine and iodine "vapor" in the strong enhancement of orange photoluminescence from CuI(111) thin film," J. Phys.: Condens. Matter 26, 185005 (2014)
  10. F. Behafarid, J. Matos, S. Hong, L. Zhang, T.S. Rahman, and B. Roldan Cuenya, "Structural and electronic properties of micellar Au nanoparticles: size and ligand effects," ACS Nano 8, 6671 (2014)
  11. Q. Ma, M. Isarraraz, C.S. Wang, E. Preciado, V. Klee, S. Bobek, K. Yamaguchi, E. Li, P.M. Odenthal, A. Nguyen, D. Barroso, D. Sun, G. von Son Palacio, M. Gomez, A. Nguyen, D. Le, G. Pawin, J. Mann, T.F. Heinz, T.S. Rahman, and L. Bartels, "Post-Growth Tuning of the Bandgap of Single-Layer Molybdenum Disulfide Films by Sulfur/Selenium Exchange," ACS Nano 8, 4672 (2014)
  12. J. Mann, Q. Ma, P.M. Odenthal, M. Isarraraz, D. Le, E. Preciado, D. Barroso, K. Yamaguchi, G. von Son Palacio, A. Nguyen, T. Tran, M. Wurch, A. Nguyen, V. Klee, S. Bobek, D. Sun, T.F. Heinz, T.S. Rahman, R. Kawakami, and L. Bartels, "2-Dimensional Transition Metal Dichalcogenides with Tunable Direct Band Gaps: MoSi2(1-x)Se2x Monolayers," Adv. Mater. 26, 1399 (2014)
  13. D. Le, T.B. Rawal, and T.S. Rahman, "Single-Layer MoS2 with Sulfur Vacancies: Structure and Catalytic Application," J. Phys. Chem. C 118, 5346 (2014)
  14. V. Turkowski and T.S. Rahman, "Nonadiabatic time-dependent spin-density functional theory for strongly correlated systems," J. Phys.: Condens. Matter 26, 022201 (2014)

2013

  1. S.A. Tenney, S.I. Shah, H. Yan, B.A. Cagg, M.S. Levine, T.S. Rahman, and D.A. Chen, "Methanol Reaction on Pt-Au Clusters on TiO2(110): Methoxy-Induced Diffusion of Pt," J. Phys. Chem. C 117, 26998 (2013)
  2. G. Nandipati, A. Kara, S. I. Shah, and T. S. Rahman, "Kinetically driven shape changes in early stages of two-dimensional island coarsening: Ag/Ag(111)," Phys. Rev. B 88, 115402 (2013)
  3. S. I. Shah, G. Nandipati, A. Kara, and T. S. Rahman, "Self-diffusion of small Ni clusters on the Ni(111) surface: A self-learning kinetic Monte Carlo study," Phys. Rev. B 88, 035414 (2013)
  4. D. Le and T. S. Rahman, "Joined edges in MoS2: metallic and half-metallic wires," J. Phys.: Condens. Matter 25, 312201 (2013)
  5. Q. Ma, P. M. Odenthal, J. Mann, D. Le, C. S. Wang, Y. Zhu, T. Chen, D. Sun, K. Yamaguchi, T. Tran, M. Wurch, J. L. McKinley, J. Wyrick, K. Magnone, T. F. Heinz, T. S. Rahman, R. Kawakami, L. Bartels, "Controlled argon beam-induced desulfurization of monolayer molybdenum disulfide," J. Phys.: Condens. Matter 24, 252201 (2013)
  6. S. Hong, D. Le, and T.S. Rahman, "Deactivation of Cu2O(100) by CO Poisoning," Top. Catal. (2013) In press
  7. E.A. Lewis, D. Le, A.D. Jewell, C.J. Murphy, T.S. Rahman, and E.C.H. Sykes, "Visualization of Compression and Spillover in a Coadsorbed System: Syngas on Cobalt Nanoparticles," ACS Nano 7, 4384 (2013)
  8. S. Hong and TS. Rahman, "Rationale for the Higher Reactivity of Interfacial Sites in Methanol Decomposition on Au13/TiO2(110)," J. Am. Chem. Soc. 135, 7629 (2013)
  9. D. Le, D. Sun, W. Lu, M. Aminpour, C. Wang, Q. Ma, T. S. Rahman, L. Bartels, "Growth of aligned Mo6S6 nanowires on Cu(111)," Surf. Sci. 611, 1 (2013)

2012

  1. F. Behafarid, L. K. Ono, S. Mostafa, J. R. Croy, G. Shafai, S. Hong, T. S. Rahman, S. R. Bare, and B. R. Cuenya, "Electronic properties and charge transfer phenomena in Pt nanoparticles on gamma-Al2O3: size, shape, support, and adsorbate effects," PCCP 14, 11766 (2012).
  2. P. Hyldgaard and T. S. Rahman, "Van der Waals interactions in advanced materials, in memory of David C Langreth," J. Phys.: Condens. Matter 24, 420201 (2012).
  3. E. A. Lewis, D. Le, C. J. Murphy, A. D. Jewell, M. F. G. Mattera, M. L. Liriano, T. S. Rahman, and E. C. H. Sykes, "Dissociative Hydrogen Adsorption on Close-Packed Cobalt Nanoparticle Surfaces," J. Phys. Chem. C 116, 25868-25873 (2012).
  4. N. Nayyar, V. Turkowski, and T. S. Rahman, "Optical Generation of Collective Plasmon Modes in Small Gold Chains Induced by Doping Transition-Metal Impurities," Phys. Rev. Lett. 109, 157404 (2012).
  5. D. Sun, W. Lu, D. Le, Q. Ma, M. Aminpour, M. Alcantara Ortigoza, S. Bobek, J. Mann, J. Wyrick, T.S. Rahman, and L. Bartels, "An MoS(x) Structure with High Affinity for Adsorbate Interaction," Angew. Chem. Int. Ed. 51, 10284 (2012)
  6. D. Le, M. Aminpour, A. Kiejna, and T. S. Rahman, "The role of van der Waals interaction in the tilted binding of amine molecules to the Au(111) surface," J. Phys.: Condens. Matter 24, 222001 (2012)
  7. V. Turkowski, S. Babu, D. Le, M. K. Haldar, A. Wagh, Z. Hu, A. S. Karakoti, A. J. Gesquiere, B. Law, S. Mallik, T. S. Rahman, M. N. Leuenberger, and S. Seal, "Linker-induced anomalous emission of organic molecule-conjugated metal oxide nanoparticles," ACS Nano 6, 4854 (2012)
  8. G. Nandipati, A. Kara, S. I. Shah, T. S. Rahman, "Off-lattice pattern recognition scheme for kinetic Monte Carlo simulations," J. Comp. Phys. 231, 3548 (2012)
  9. H. Yildirim, A. Kara, and T. S. Rahman, "Tailoring the Electronic Structure by Alloying: the AgnCu34-n Nanoparticle Family," J. Phys. Chem. C 116, 281 (2012)
  10. G. Shafai, M. Alcántara Ortigoza, and T. S. Rahman, "Vibrations of Au13 and FeAu12 nanoparticles and the limits of the Debye temperature concept," J. Phys.: Condens. Matter 24, 104026 (2012)
  11. D. Le, D. Sun, W. Lu, L. Bartels, and T. S. Rahman, "Single layer MoS2 on the Cu(111) surfaces: First-principles electronic structure calculations," Phys. Rev. B 85, 075429 (2012)
  12. V. Turkowski, A. Kabir, N. Nayyar, and T. S. Rahman, "Dynamical Mean-Field Theory for Molecules and Nanostructures," J. Chem. Phys. 136, 114108 (2012)
  13. S. Kahle, Z. Deng,N. Malinowski, C. Tonnoir,A. Forment Aliaga,N. Thontasen, G. Rinke, D. Le, V. Turkowski,T. S. Rahman, S. Rauschenbach,M. Ternes, and K. Kern, "Addressing the Quantum Magnetism of Individual Manganese-12-Acetate Molecular Magnets Anchored at Surfaces," NanoLett. 12, 518 (2012)

2011

  1. S. Hong, G. Shafai, M. Bertino, and T. S. Rahman, "Toward an Understanding of Ligand Selectivity in Nanocluster Synthesis" J. Phy. Chem. C 115, 14478 (2011).
  2. O.S. Trushin, M. Aminpour, T.S. Rahman, "Effect of misfit dislocation on surface diffusion," Phys. Rev. B 84, 035455 (2011).
  3. M. Alcántara-Ortigoza, T. S. Rahman, R. Heid, and K. P. Bohnen, "Nature of the binding of a c(2x2)-CO overlayer on Ag(001) and surface mediated intermolecular coupling,"J. Phys. Chem. A 115, 7291 (2011).
  4. T. S. Rahman, "Vibrations at Surfaces," J. Phys.: Condens. Matter 23 (2011) 480301.
  5. B. Roldan Cuenya, M. Alcantara Ortigoza, L. K. Ono, F. Behafarid, S. Mostafa, J. R. Croy, K. Paredis, G. Shafai, T. S. Rahman, L. Li, Z. Zhang, and J. C. Yang, "Thermodynamic properties of Pt nanoparticles: Size, shape, support, and adsorbate effects," Phys. Rev B 84, 005400 (2011).
  6. A. Karim, A. Kara, O. Trushin, and T. S. Rahman, "The crossover from collective motion to periphery diffusion for 2D adatom-islands on Cu(111)," J. Phys. Condens. Matt. (Fast Track ) 23, 462201 (2011) (also selected for inclusion in IOP Select http://Select.iop.org).
  7. S. A. Tenney, W. He, C. C. Roberts, J. S. Ratliff, S. I. Shah, G. S. Shafai, V. Turkowski, T. S. Rahman and D. A. Chen "CO-induced Diffusion of Ni Atoms to the Surface of Ni-Au Clusters on TiO2(110)," J. Phys. Chem, C 115, 11112 (2011).
  8. G. Nandipati, A. Kara, S. Islamuddin Shah, and T. S. Rahman, "Island Size Selectivity during 2D Coarsening of Ag islands on Ag (111) Surface, "J. Phys. Condens. Matt.( Fast Track) 23, 262001 (2011).
  9. R. I. Gonzalez, G. Garcia, R. Ramirez, M. Kiwi, J. A. Valdivia, T. S. Rahman, "Iron-gold nanoclusters: properties and characteristics from molecular dynamics simulations," Phys. Rev. B 83, 155425 (2011).
  10. D. Kim, D. Sun, W. Lu, Z. Cheng, Y. Zhu, D. Le, T. S. Rahman, and L. Bartels "Toward the Growth of an Aligned Single-Layer MoS2 Film," Langmuir 27, 11650 (2011).
  11. S. Hong, M. Alcántra Ortigoza, T. S. Rahman, E. Z. Ciftlikli, and B. J. Hinch, "Stress balance in nanopatterned N/Cu(001) surfaces," Phys. Rev. B 84, 165413 (2011).

2010

  1. S. Hong, A. Karim, T. S. Rahman, K. Jacobi, G. Ertl, "Selective Oxidation of Ammonia on RuO2(110): a combined DFT and KMC study," J. Catalysis 276, 371 (2010).
  2. M. Alcántara-Ortigoza, T. S. Rahman, R. Heid, and K. P. Bohnen, "Ab initio calculations of the dispersion of surface phonons of a c(2x2) CO overlayer on Ag(001), J. Phys. Condens. Matter 22 395001 (2010).
  3. V. Turkowski, C.A. Ullrich, T.S. Rahman, and M.N. Leuenberger, "Time-dependent density-matrix functional theory for biexcitonic phenomena," Phys. Rev. B 82, 205208 (2010).
  4. V. Turkowski, A. Kabir, N. Nayyar, and T.S. Rahman, "DFT+DMFT approach for Nanosystems," J. Phys. Condens. Matt (Fast Track) 22, 462202 (2010).
  5. D. Sun, D-H. Kim, D. Le, Ø. Borck, K. Berland, K. Kim, W. Lu, Y. Zhu, M. Luo, J. Wyrick, Z. Cheng, T. L. Einstein, T. S. Rahman, P. Hyldgaard, and L. Bartels, "Effective elastic properties of a van der Waals molecular monolayer at a metal surface," Phys. Rev. B 82, 201410 (2010).
  6. S. Sikandar Hayat, M. Alcántara-Ortigoza and T. S. Rahman, "Diffusion of Cu monomer and dimer on Ag(111): results of ab intio calculations and Molecular Dynamics Method," Phys. Rev. B 82, 085405 (2010).
  7. H. Yildirim, A. Kara, T. S. Rahman, R. Heid, and K.P. Bohnen, "Surface vibrational thermodynamics from ab initio calculations for fcc(100)," Surf. Sci. 604, 308 (2010).
  8. E.Z. Ciftlikli, L.V. Goncharova, B.J. Hinch, M. Alcántra Ortigoza, S. Hong, and T.S. Rahman, "Vibrational Dynamics of a c(2x2) phase Induced by nitrogen adsorption on Cu(001)," Phys. Rev. B 81, 115465 (2010).
Department of Physics, University of Central Florida
4000 Central Florida Blvd - Building 121 PS 430 - Orlando, FL 32816-2385
Phone: 407-823-1480 Fax: 407-823-5112 Email: Talat.Rahman@ucf.edu