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Items: 1 to 50 of 88

1.

Redox-active ligand controlled selectivity of vanadium oxidation on Au(100).

Tempas CD, Morris TW, Wisman DL, Le D, Din NU, Williams CG, Wang M, Polezhaev AV, Rahman TS, Caulton KG, Tait SL.

Chem Sci. 2018 Jan 4;9(6):1674-1685. doi: 10.1039/c7sc04752e. eCollection 2018 Feb 14.

2.

Pentacene Excitons in Strong Electric Fields.

Kuhnke K, Turkowski V, Kabakchiev A, Lutz T, Rahman TS, Kern K.

Chemphyschem. 2018 Feb 5;19(3):277-283. doi: 10.1002/cphc.201701174. Epub 2018 Jan 15.

PMID:
29240984
3.

Nonadiabatic exchange-correlation kernel for strongly correlated materials.

Turkowski V, Rahman TS.

J Phys Condens Matter. 2017 Nov 15;29(45):455601. doi: 10.1088/1361-648X/aa8ac1.

PMID:
28876226
4.

Pt-dipyridyl tetrazine metal-organic network on the Au(100) surface: insights from first principles calculations.

Le D, Rahman TS.

Faraday Discuss. 2017 Oct 26;204:83-95. doi: 10.1039/c7fd00097a.

PMID:
28795746
5.

MoS2-supported gold nanoparticle for CO hydrogenation.

Rawal TB, Le D, Rahman TS.

J Phys Condens Matter. 2017 Oct 18;29(41):415201. doi: 10.1088/1361-648X/aa8314. Epub 2017 Jul 31.

PMID:
28758898
6.

Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110).

Pal J, Rawal TB, Smerieri M, Hong S, Alatalo M, Savio L, Vattuone L, Rahman TS, Rocca M.

Phys Rev Lett. 2017 Jun 2;118(22):226101. doi: 10.1103/PhysRevLett.118.226101. Epub 2017 Jun 1.

PMID:
28621981
7.

Adsorbate doping of MoS2 and WSe2: the influence of Na and Co.

Komesu T, Le D, Tanabe I, Schwier EF, Kojima Y, Zheng M, Taguchi K, Miyamoto K, Okuda T, Iwasawa H, Shimada K, Rahman TS, Dowben PA.

J Phys Condens Matter. 2017 Jul 19;29(28):285501. doi: 10.1088/1361-648X/aa7482. Epub 2017 May 22.

PMID:
28530634
8.

Two-Dimensional Folding of Polypeptides into Molecular Nanostructures at Surfaces.

Rauschenbach S, Rinke G, Gutzler R, Abb S, Albarghash A, Le D, Rahman TS, Dürr M, Harnau L, Kern K.

ACS Nano. 2017 Mar 28;11(3):2420-2427. doi: 10.1021/acsnano.6b06145. Epub 2017 Feb 15.

PMID:
28122181
9.

pH-Induced Surface Modification of Atomically Precise Silver Nanoclusters: An Approach for Tunable Optical and Electronic Properties.

AbdulHalim LG, Hooshmand Z, Parida MR, Aly SM, Le D, Zhang X, Rahman TS, Pelton M, Losovyj Y, Dowben PA, Bakr OM, Mohammed OF, Katsiev K.

Inorg Chem. 2016 Nov 7;55(21):11522-11528. Epub 2016 Oct 24.

PMID:
27775334
10.

The symmetry-resolved electronic structure of 2H-WSe2(0 0 0 1).

Tanabe I, Komesu T, Le D, Rawal TB, Schwier EF, Zheng M, Kojima Y, Iwasawa H, Shimada K, Rahman TS, Dowben PA.

J Phys Condens Matter. 2016 Sep 1;28(34):345503. doi: 10.1088/0953-8984/28/34/345503. Epub 2016 Jun 30.

PMID:
27362263
11.

Nanoscale plasmonic phenomena in CVD-grown MoS2 monolayer revealed by ultra-broadband synchrotron radiation based nano-FTIR spectroscopy and near-field microscopy: publisher's note.

Patoka P, Ulrich G, Nguyen AE, Bartels L, Dowben PA, Turkowski V, Rahman TS, Hermann P, Kästner B, Hoehl A, Ulm G, Rühl E.

Opt Express. 2016 Mar 7;24(5):4600. doi: 10.1364/OE.24.004600.

PMID:
29092287
12.

Scattering strength of the scatterer inducing variability in graphene on silicon oxide.

Katoch J, Le D, Singh S, Rao R, Rahman TS, Ishigami M.

J Phys Condens Matter. 2016 Mar 23;28(11):115301. doi: 10.1088/0953-8984/28/11/115301. Epub 2016 Feb 23.

PMID:
26902181
13.

Nanoscale plasmonic phenomena in CVD-grown MoS(2) monolayer revealed by ultra-broadband synchrotron radiation based nano-FTIR spectroscopy and near-field microscopy.

Patoka P, Ulrich G, Nguyen AE, Bartels L, Dowben PA, Turkowski V, Rahman TS, Hermann P, Kästner B, Hoehl A, Ulm G, Rühl E.

Opt Express. 2016 Jan 25;24(2):1154-64. doi: 10.1364/OE.24.001154.

PMID:
26832499
14.

Self-learning kinetic Monte Carlo simulations of self-diffusion of small Ag islands on the Ag(111) surface.

Shah SI, Nandipati G, Karim A, Rahman TS.

J Phys Condens Matter. 2016 Jan 20;28(2):025001. doi: 10.1088/0953-8984/28/2/025001. Epub 2015 Dec 11.

PMID:
26657883
15.

A tight-binding model for MoS2 monolayers.

Ridolfi E, Le D, Rahman TS, Mucciolo ER, Lewenkopf CH.

J Phys Condens Matter. 2015 Sep 16;27(36):365501. doi: 10.1088/0953-8984/27/36/365501. Epub 2015 Aug 25.

PMID:
26302773
16.

Spin-orbit coupling in the band structure of monolayer WSe2.

Le D, Barinov A, Preciado E, Isarraraz M, Tanabe I, Komesu T, Troha C, Bartels L, Rahman TS, Dowben PA.

J Phys Condens Matter. 2015 May 13;27(18):182201. doi: 10.1088/0953-8984/27/18/182201. Epub 2015 Apr 20.

PMID:
25893580
17.

Geometric and electronic structure and magnetic properties of Fe-Au nanoalloys: insights from ab initio calculations.

Hong S, Rahman TS.

Phys Chem Chem Phys. 2015 Nov 14;17(42):28177-85. doi: 10.1039/c5cp00299k. Epub 2015 Mar 30.

PMID:
25821143
18.

A DFT+nonhomogeneous DMFT approach for finite systems.

Kabir A, Turkowski V, Rahman TS.

J Phys Condens Matter. 2015 Apr 1;27(12):125601. doi: 10.1088/0953-8984/27/12/125601. Epub 2015 Mar 5.

PMID:
25739446
19.

Symmetry-resolved surface-derived electronic structure of MoS2(0 0 0 1).

Komesu T, Le D, Ma Q, Schwier EF, Kojima Y, Zheng M, Iwasawa H, Shimada K, Taniguchi M, Bartels L, Rahman TS, Dowben PA.

J Phys Condens Matter. 2014 Nov 12;26(45):455501. doi: 10.1088/0953-8984/26/45/455501. Epub 2014 Oct 10.

PMID:
25301782
20.

Molecular adsorption on graphene.

Kong L, Enders A, Rahman TS, Dowben PA.

J Phys Condens Matter. 2014 Nov 5;26(44):443001. doi: 10.1088/0953-8984/26/44/443001. Epub 2014 Oct 7. Review.

PMID:
25287516
21.

Segregation of Fischer-Tropsch reactants on cobalt nanoparticle surfaces.

Lewis EA, Le D, Jewell AD, Murphy CJ, Rahman TS, Sykes EC.

Chem Commun (Camb). 2014 Jun 21;50(49):6537-9. doi: 10.1039/c4cc01680g. Epub 2014 May 13.

PMID:
24825772
22.

Complementary roles of benzylpiperazine and iodine 'vapor' in the strong enhancement of orange photoluminescence from CuI(1 1 1) thin film.

Rawal TB, Turkowski V, Rahman TS.

J Phys Condens Matter. 2014 May 7;26(18):185005. doi: 10.1088/0953-8984/26/18/185005. Epub 2014 Apr 14.

PMID:
24727195
23.

Postgrowth tuning of the bandgap of single-layer molybdenum disulfide films by sulfur/selenium exchange.

Ma Q, Isarraraz M, Wang CS, Preciado E, Klee V, Bobek S, Yamaguchi K, Li E, Odenthal PM, Nguyen A, Barroso D, Sun D, von Son Palacio G, Gomez M, Nguyen A, Le D, Pawin G, Mann J, Heinz TF, Rahman TS, Bartels L.

ACS Nano. 2014 May 27;8(5):4672-7. doi: 10.1021/nn5004327. Epub 2014 Apr 22.

PMID:
24684434
24.

Structural and electronic properties of micellar Au nanoparticles: size and ligand effects.

Behafarid F, Matos J, Hong S, Zhang L, Rahman TS, Roldan Cuenya B.

ACS Nano. 2014 Jul 22;8(7):6671-81. doi: 10.1021/nn406568b. Epub 2014 Jan 28.

PMID:
24437393
25.

2-dimensional transition metal dichalcogenides with tunable direct band gaps: MoS₂(₁-x) Se₂x monolayers.

Mann J, Ma Q, Odenthal PM, Isarraraz M, Le D, Preciado E, Barroso D, Yamaguchi K, von Son Palacio G, Nguyen A, Tran T, Wurch M, Nguyen A, Klee V, Bobek S, Sun D, Heinz TF, Rahman TS, Kawakami R, Bartels L.

Adv Mater. 2014 Mar 5;26(9):1399-404. doi: 10.1002/adma.201304389. Epub 2013 Dec 12.

PMID:
24339159
26.

Nonadiabatic time-dependent spin-density functional theory for strongly correlated systems.

Turkowski V, Rahman TS.

J Phys Condens Matter. 2014 Jan 15;26(2):022201. doi: 10.1088/0953-8984/26/2/022201. Epub 2013 Nov 25.

PMID:
24275443
27.

Joined edges in MoS2: metallic and half-metallic wires.

Le D, Rahman TS.

J Phys Condens Matter. 2013 Aug 7;25(31):312201. doi: 10.1088/0953-8984/25/31/312201. Epub 2013 Jul 9.

PMID:
23835417
28.

Controlled argon beam-induced desulfurization of monolayer molybdenum disulfide.

Ma Q, Odenthal PM, Mann J, Le D, Wang CS, Zhu Y, Chen T, Sun D, Yamaguchi K, Tran T, Wurch M, McKinley JL, Wyrick J, Magnone K, Heinz TF, Rahman TS, Kawakami R, Bartels L.

J Phys Condens Matter. 2013 Jun 26;25(25):252201. doi: 10.1088/0953-8984/25/25/252201. Epub 2013 May 24.

PMID:
23708055
29.

Rationale for the higher reactivity of interfacial sites in methanol decomposition on Au13/TiO2(110).

Hong S, Rahman TS.

J Am Chem Soc. 2013 May 22;135(20):7629-35. doi: 10.1021/ja4010738. Epub 2013 May 9.

PMID:
23617758
30.

Visualization of compression and spillover in a coadsorbed system: syngas on cobalt nanoparticles.

Lewis EA, Le D, Jewell AD, Murphy CJ, Rahman TS, Sykes EC.

ACS Nano. 2013 May 28;7(5):4384-92. doi: 10.1021/nn400919y. Epub 2013 Apr 19.

PMID:
23565854
31.

Optical generation of collective plasmon modes in small gold chains induced by doping transition-metal impurities.

Nayyar N, Turkowski V, Rahman TS.

Phys Rev Lett. 2012 Oct 12;109(15):157404. Epub 2012 Oct 12.

PMID:
23102369
32.

Physisorption of nucleobases on graphene: a comparative van der Waals study.

Le D, Kara A, Schröder E, Hyldgaard P, Rahman TS.

J Phys Condens Matter. 2012 Oct 24;24(42):424210. doi: 10.1088/0953-8984/24/42/424210. Epub 2012 Oct 3.

PMID:
23032709
33.

Van der Waals interactions in advanced materials, in memory of David C Langreth.

Hyldgaard P, Rahman TS.

J Phys Condens Matter. 2012 Oct 24;24(42):420201. doi: 10.1088/0953-8984/24/42/420201. Epub 2012 Oct 3. No abstract available.

PMID:
23032091
34.

An MoS(x) structure with high affinity for adsorbate interaction.

Sun D, Lu W, Le D, Ma Q, Aminpour M, Alcántara Ortigoza M, Bobek S, Mann J, Wyrick J, Rahman TS, Bartels L.

Angew Chem Int Ed Engl. 2012 Oct 8;51(41):10284-8. doi: 10.1002/anie.201205258. Epub 2012 Sep 11. No abstract available.

PMID:
22969065
35.

Extended pattern recognition scheme for self-learning kinetic Monte Carlo simulations.

Shah SI, Nandipati G, Kara A, Rahman TS.

J Phys Condens Matter. 2012 Sep 5;24(35):354004. doi: 10.1088/0953-8984/24/35/354004. Epub 2012 Aug 16.

PMID:
22898941
36.

Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al2O3: size, shape, support, and adsorbate effects.

Behafarid F, Ono LK, Mostafa S, Croy JR, Shafai G, Hong S, Rahman TS, Bare SR, Cuenya BR.

Phys Chem Chem Phys. 2012 Sep 7;14(33):11766-79. doi: 10.1039/c2cp41928a. Epub 2012 Jul 25.

PMID:
22828479
37.

Linker-induced anomalous emission of organic-molecule conjugated metal-oxide nanoparticles.

Turkowski V, Babu S, Le D, Kumar A, Haldar MK, Wagh AV, Hu Z, Karakoti AS, Gesquiere AJ, Law B, Mallik S, Rahman TS, Leuenberger MN, Seal S.

ACS Nano. 2012 Jun 26;6(6):4854-63. doi: 10.1021/nn301316j. Epub 2012 May 16.

PMID:
22559229
38.

The role of van der Waals interaction in the tilted binding of amine molecules to the Au(111) surface.

Le D, Aminpour M, Kiejna A, Rahman TS.

J Phys Condens Matter. 2012 Jun 6;24(22):222001. doi: 10.1088/0953-8984/24/22/222001. Epub 2012 Apr 26.

PMID:
22534196
39.

Dynamical mean-field theory for molecules and nanostructures.

Turkowski V, Kabir A, Nayyar N, Rahman TS.

J Chem Phys. 2012 Mar 21;136(11):114108. doi: 10.1063/1.3692613.

PMID:
22443749
40.

Vibrations of Au₁₃ and FeAu₁₂ nanoparticles and the limits of the Debye temperature concept.

Shafai G, Ortigoza MA, Rahman TS.

J Phys Condens Matter. 2012 Mar 14;24(10):104026. doi: 10.1088/0953-8984/24/10/104026. Epub 2012 Feb 21.

PMID:
22354075
41.

Vibrations at surfaces.

Rahman TS.

J Phys Condens Matter. 2011 Dec 7;23(48):480301. No abstract available.

PMID:
22195301
42.

The quantum magnetism of individual manganese-12-acetate molecular magnets anchored at surfaces.

Kahle S, Deng Z, Malinowski N, Tonnoir C, Forment-Aliaga A, Thontasen N, Rinke G, Le D, Turkowski V, Rahman TS, Rauschenbach S, Ternes M, Kern K.

Nano Lett. 2012 Jan 11;12(1):518-21. doi: 10.1021/nl204141z. Epub 2011 Dec 27.

PMID:
22181658
43.

The crossover from collective motion to periphery diffusion for two-dimensional adatom-islands on Cu(111).

Karim A, Kara A, Trushin O, Rahman TS.

J Phys Condens Matter. 2011 Nov 23;23(46):462201. doi: 10.1088/0953-8984/23/46/462201. Epub 2011 Oct 21.

PMID:
22019690
44.

Toward the growth of an aligned single-layer MoS2 film.

Kim D, Sun D, Lu W, Cheng Z, Zhu Y, Le D, Rahman TS, Bartels L.

Langmuir. 2011 Sep 20;27(18):11650-3. doi: 10.1021/la201878f. Epub 2011 Aug 17.

PMID:
21812475
45.

Nature of the binding of a c(2×2)-CO overlayer on Ag(001) and surface mediated intermolecular coupling.

Alcántara Ortigoza M, Heid R, Bohnen KP, Rahman TS.

J Phys Chem A. 2011 Jun 30;115(25):7291-9. doi: 10.1021/jp200548d. Epub 2011 Jun 8.

PMID:
21650168
46.

Island-size selectivity during 2D Ag island coarsening on Ag(111).

Nandipati G, Kara A, Shah SI, Rahman TS.

J Phys Condens Matter. 2011 Jul 6;23(26):262001. doi: 10.1088/0953-8984/23/26/262001. Epub 2011 Jun 6.

PMID:
21642753
47.

A DFT + DMFT approach for nanosystems.

Turkowski V, Kabir A, Nayyar N, Rahman TS.

J Phys Condens Matter. 2010 Nov 24;22(46):462202. doi: 10.1088/0953-8984/22/46/462202. Epub 2010 Nov 4.

PMID:
21403361
48.

Ab initio calculations of the dispersion of surface phonons of a c(2 × 2) CO overlayer on Ag(001).

Ortigoza MA, Rahman TS, Heid R, Bohnen KP.

J Phys Condens Matter. 2010 Oct 6;22(39):395001. doi: 10.1088/0953-8984/22/39/395001. Epub 2010 Aug 25.

PMID:
21403214
49.

Application of density functional theory to CO tolerance in fuel cells: a brief review.

Stolbov S, Alcantara Ortigoza M, Rahman TS.

J Phys Condens Matter. 2009 Nov 25;21(47):474226. doi: 10.1088/0953-8984/21/47/474226. Epub 2009 Nov 5.

PMID:
21832505
50.

Dispersed forces from measured shape anisotropy of adatom islands: revelations from an accelerated simulation scheme.

Rabbering F, Kara A, Wormeester H, Warnaar T, Trushin O, Rahman TS, Poelsema B.

Phys Rev Lett. 2009 Aug 28;103(9):096105. Epub 2009 Aug 27.

PMID:
19792812

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