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Items: 1 to 50 of 120

1.

Inducing Strong Superconductivity in WTe2 by Proximity Effect.

Huang C, Narayan A, Zhang E, Liu Y, Yan X, Wang J, Zhang C, Wang W, Zhou T, Yi C, Liu S, Ling J, Zhang H, Liu R, Sankar R, Chou FC, Wang Y, Shi Y, Law KT, Sanvito S, Zhou P, Han Z, Xiu F.

ACS Nano. 2018 Jun 14. doi: 10.1021/acsnano.8b03102. [Epub ahead of print]

PMID:
29901987
2.

Effect of molecular conformations on the electronic transport in oxygen-substituted alkanethiol molecular junctions.

Wang M, Wang H, Zhang G, Wang Y, Sanvito S, Hou S.

J Chem Phys. 2018 May 14;148(18):184703. doi: 10.1063/1.5025190.

PMID:
29764150
3.

Spin injection and magnetoresistance in MoS2-based tunnel junctions using Fe3Si Heusler alloy electrodes.

Rotjanapittayakul W, Pijitrojana W, Archer T, Sanvito S, Prasongkit J.

Sci Rep. 2018 Mar 19;8(1):4779. doi: 10.1038/s41598-018-22910-9.

4.

Ab initio surface properties of Ag-Sn alloys: implications for lead-free soldering.

Saleh G, Xu C, Sanvito S.

Phys Chem Chem Phys. 2018 Feb 7;20(6):4277-4286. doi: 10.1039/c7cp07551k.

PMID:
29364993
5.

Elucidating the Impact of Chalcogen Content on the Photovoltaic Properties of Oxychalcogenide Perovkskites: NaMO3-x Qx (M=Nb, Ta; Q=S, Se, Te).

Park H, Alharbi FH, Sanvito S, Tabet N, El-Mellouhi F.

Chemphyschem. 2018 Mar 19;19(6):703-714. doi: 10.1002/cphc.201701206. Epub 2018 Jan 26.

PMID:
29144015
6.

Evolution of Weyl orbit and quantum Hall effect in Dirac semimetal Cd3As2.

Zhang C, Narayan A, Lu S, Zhang J, Zhang H, Ni Z, Yuan X, Liu Y, Park JH, Zhang E, Wang W, Liu S, Cheng L, Pi L, Sheng Z, Sanvito S, Xiu F.

Nat Commun. 2017 Nov 2;8(1):1272. doi: 10.1038/s41467-017-01438-y.

7.

Intra-molecular origin of the spin-phonon coupling in slow-relaxing molecular magnets.

Lunghi A, Totti F, Sanvito S, Sessoli R.

Chem Sci. 2017 Sep 1;8(9):6051-6059. doi: 10.1039/c7sc02832f. Epub 2017 Jul 31.

8.

The low-bias conducting mechanism of single-molecule junctions constructed with methylsulfide linker groups and gold electrodes.

Wang M, Wang Y, Sanvito S, Hou S.

J Chem Phys. 2017 Aug 7;147(5):054702. doi: 10.1063/1.4996745.

PMID:
28789544
9.

Femtosecond Spin Current Pulses Generated by the Nonthermal Spin-Dependent Seebeck Effect and Interacting with Ferromagnets in Spin Valves.

Alekhin A, Razdolski I, Ilin N, Meyburg JP, Diesing D, Roddatis V, Rungger I, Stamenova M, Sanvito S, Bovensiepen U, Melnikov A.

Phys Rev Lett. 2017 Jul 7;119(1):017202. doi: 10.1103/PhysRevLett.119.017202. Epub 2017 Jul 6.

PMID:
28731774
10.

First-Principles Prediction of Spin-Polarized Multiple Dirac Rings in Manganese Fluoride.

Jiao Y, Ma F, Zhang C, Bell J, Sanvito S, Du A.

Phys Rev Lett. 2017 Jul 7;119(1):016403. doi: 10.1103/PhysRevLett.119.016403. Epub 2017 Jul 7.

PMID:
28731769
11.

Resistive switching mechanism of GeTe-Sb2Te3 interfacial phase change memory and topological properties of embedded two-dimensional states.

Nakamura H, Rungger I, Sanvito S, Inoue N, Tominaga J, Asai Y.

Nanoscale. 2017 Jul 13;9(27):9386-9395. doi: 10.1039/c7nr03495d.

PMID:
28657077
12.

Theoretical Evaluation of [VIV(α-C3S5)3]2- as Nuclear-Spin-Sensitive Single-Molecule Spin Transistor.

Cardona-Serra S, Gaita-Ariño A, Stamenova M, Sanvito S.

J Phys Chem Lett. 2017 Jul 6;8(13):3056-3060. doi: 10.1021/acs.jpclett.7b01376. Epub 2017 Jun 20.

PMID:
28622468
13.

Spin-Polarized Tunneling through Chemical Vapor Deposited Multilayer Molybdenum Disulfide.

Dankert A, Pashaei P, Kamalakar MV, Gaur APS, Sahoo S, Rungger I, Narayan A, Dolui K, Hoque MA, Patel RS, de Jong MP, Katiyar RS, Sanvito S, Dash SP.

ACS Nano. 2017 Jun 27;11(6):6389-6395. doi: 10.1021/acsnano.7b02819. Epub 2017 May 30.

PMID:
28557439
14.

Accelerated discovery of new magnets in the Heusler alloy family.

Sanvito S, Oses C, Xue J, Tiwari A, Zic M, Archer T, Tozman P, Venkatesan M, Coey M, Curtarolo S.

Sci Adv. 2017 Apr 14;3(4):e1602241. doi: 10.1126/sciadv.1602241. eCollection 2017 Apr.

15.

The role of anharmonic phonons in under-barrier spin relaxation of single molecule magnets.

Lunghi A, Totti F, Sessoli R, Sanvito S.

Nat Commun. 2017 Mar 6;8:14620. doi: 10.1038/ncomms14620.

16.

Solar Cell Materials by Design: Hybrid Pyroxene Corner-Sharing VO4 Tetrahedral Chains.

El-Mellouhi F, Akande A, Motta C, Rashkeev SN, Berdiyorov G, Madjet ME, Marzouk A, Bentria ET, Sanvito S, Kais S, Alharbi FH.

ChemSusChem. 2017 May 9;10(9):1931-1942. doi: 10.1002/cssc.201700121. Epub 2017 Mar 21.

PMID:
28164465
17.

Cu-metalated carbyne acting as a promising molecular wire.

Tu X, Wang H, Shen Z, Wang Y, Sanvito S, Hou S.

J Chem Phys. 2016 Dec 28;145(24):244702. doi: 10.1063/1.4972867.

PMID:
28049330
18.

Influence of the dipolar interactions on the relative stability in spin crossover systems.

Cardona-Serra S, Sanvito S.

J Comput Chem. 2017 Feb 5;38(4):224-227. doi: 10.1002/jcc.24676. Epub 2016 Nov 24.

PMID:
27882575
19.

Substantial Band-Gap Tuning and a Strain-Controlled Semiconductor to Gapless/Band-Inverted Semimetal Transition in Rutile Lead/Stannic Dioxide.

Ma F, Jiao Y, Gao G, Gu Y, Bilic A, Sanvito S, Du A.

ACS Appl Mater Interfaces. 2016 Oct 5;8(39):25667-25673. Epub 2016 Sep 26.

PMID:
27658731
20.

Persistent current and Drude weight of one-dimensional interacting fermions on imperfect ring from current lattice density functional theory.

Akande A, Sanvito S.

J Phys Condens Matter. 2016 Nov 9;28(44):445601. doi: 10.1088/0953-8984/28/44/445601. Epub 2016 Sep 8.

PMID:
27605413
21.

Dynamic spin filtering at the Co/Alq3 interface mediated by weakly coupled second layer molecules.

Droghetti A, Thielen P, Rungger I, Haag N, Großmann N, Stöckl J, Stadtmüller B, Aeschlimann M, Sanvito S, Cinchetti M.

Nat Commun. 2016 Aug 31;7:12668. doi: 10.1038/ncomms12668.

22.

Charge and spin transport in single and packed ruthenium-terpyridine molecular devices: Insight from first-principles calculations.

Morari C, Buimaga-Iarinca L, Rungger I, Sanvito S, Melinte S, Rignanese GM.

Sci Rep. 2016 Aug 23;6:31856. doi: 10.1038/srep31856.

23.

Zeeman splitting and dynamical mass generation in Dirac semimetal ZrTe5.

Liu Y, Yuan X, Zhang C, Jin Z, Narayan A, Luo C, Chen Z, Yang L, Zou J, Wu X, Sanvito S, Xia Z, Li L, Wang Z, Xiu F.

Nat Commun. 2016 Aug 12;7:12516. doi: 10.1038/ncomms12516.

24.

Diffusion Monte Carlo Perspective on the Spin-State Energetics of [Fe(NCH)6](2.).

Fumanal M, Wagner LK, Sanvito S, Droghetti A.

J Chem Theory Comput. 2016 Sep 13;12(9):4233-41. doi: 10.1021/acs.jctc.6b00332. Epub 2016 Aug 23.

PMID:
27500854
25.

Effects of the molecule-electrode interface on the low-bias conductance of Cu-H2-Cu single-molecule junctions.

Jiang Z, Wang H, Shen Z, Sanvito S, Hou S.

J Chem Phys. 2016 Jul 28;145(4):044701. doi: 10.1063/1.4959287.

PMID:
27475380
26.

Vertical Single-Crystalline Organic Nanowires on Graphene: Solution-Phase Epitaxy and Optical Microcavities.

Zheng JY, Xu H, Wang JJ, Winters S, Motta C, Karademir E, Zhu W, Varrla E, Duesberg GS, Sanvito S, Hu W, Donegan JF.

Nano Lett. 2016 Aug 10;16(8):4754-62. doi: 10.1021/acs.nanolett.6b00526. Epub 2016 Jul 20.

PMID:
27438189
27.

Current-induced changes of migration energy barriers in graphene and carbon nanotubes.

Obodo JT, Rungger I, Sanvito S, Schwingenschlögl U.

Nanoscale. 2016 May 21;8(19):10310-5. doi: 10.1039/c6nr00534a. Epub 2016 Apr 29.

PMID:
27127889
28.

Quantitative Interpretation of the Low-Bias Conductance of Au-Mesitylene-Au Molecular Junctions Formed from Mesitylene Monolayers.

Wang H, Jiang Z, Wang Y, Sanvito S, Hou S.

Chemphyschem. 2016 Jul 18;17(14):2272-7. doi: 10.1002/cphc.201600264. Epub 2016 Apr 26.

PMID:
27116017
29.

Predicting Single-Layer Technetium Dichalcogenides (TcX₂, X = S, Se) with Promising Applications in Photovoltaics and Photocatalysis.

Jiao Y, Zhou L, Ma F, Gao G, Kou L, Bell J, Sanvito S, Du A.

ACS Appl Mater Interfaces. 2016 Mar 2;8(8):5385-92. doi: 10.1021/acsami.5b12606. Epub 2016 Feb 18.

PMID:
26859697
30.

Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface.

Jiang Z, Wang H, Sanvito S, Hou S.

J Chem Phys. 2015 Dec 21;143(23):234709. doi: 10.1063/1.4938087.

PMID:
26696072
31.

Charge Transport Properties of Durene Crystals from First-Principles.

Motta C, Sanvito S.

J Chem Theory Comput. 2014 Oct 14;10(10):4624-32. doi: 10.1021/ct500390a.

PMID:
26588155
32.

The image charge effect and vibron-assisted processes in Coulomb blockade transport: a first principles approach.

Souza AM, Rungger I, Schwingenschlögl U, Sanvito S.

Nanoscale. 2015 Dec 7;7(45):19231-40. doi: 10.1039/c5nr04245c. Epub 2015 Nov 3.

PMID:
26525140
33.

Liquid exfoliation of solvent-stabilized few-layer black phosphorus for applications beyond electronics.

Hanlon D, Backes C, Doherty E, Cucinotta CS, Berner NC, Boland C, Lee K, Harvey A, Lynch P, Gholamvand Z, Zhang S, Wang K, Moynihan G, Pokle A, Ramasse QM, McEvoy N, Blau WJ, Wang J, Abellan G, Hauke F, Hirsch A, Sanvito S, O'Regan DD, Duesberg GS, Nicolosi V, Coleman JN.

Nat Commun. 2015 Oct 15;6:8563. doi: 10.1038/ncomms9563.

34.

Controlling the Spin Texture of Topological Insulators by Rational Design of Organic Molecules.

Jakobs S, Narayan A, Stadtmüller B, Droghetti A, Rungger I, Hor YS, Klyatskaya S, Jungkenn D, Stöckl J, Laux M, Monti OL, Aeschlimann M, Cava RJ, Ruben M, Mathias S, Sanvito S, Cinchetti M.

Nano Lett. 2015 Sep 9;15(9):6022-9. doi: 10.1021/acs.nanolett.5b02213. Epub 2015 Aug 14.

PMID:
26262825
35.

Charge carrier mobility in hybrid halide perovskites.

Motta C, El-Mellouhi F, Sanvito S.

Sci Rep. 2015 Aug 3;5:12746. doi: 10.1038/srep12746.

36.

Spin-Valve Effect in NiFe/MoS2/NiFe Junctions.

Wang W, Narayan A, Tang L, Dolui K, Liu Y, Yuan X, Jin Y, Wu Y, Rungger I, Sanvito S, Xiu F.

Nano Lett. 2015 Aug 12;15(8):5261-7. doi: 10.1021/acs.nanolett.5b01553. Epub 2015 Jul 10.

PMID:
26151810
37.

Basal-Plane Functionalization of Chemically Exfoliated Molybdenum Disulfide by Diazonium Salts.

Knirsch KC, Berner NC, Nerl HC, Cucinotta CS, Gholamvand Z, McEvoy N, Wang Z, Abramovic I, Vecera P, Halik M, Sanvito S, Duesberg GS, Nicolosi V, Hauke F, Hirsch A, Coleman JN, Backes C.

ACS Nano. 2015 Jun 23;9(6):6018-30. doi: 10.1021/acsnano.5b00965. Epub 2015 May 20.

PMID:
25969861
38.
39.

Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3.

Motta C, El-Mellouhi F, Kais S, Tabet N, Alharbi F, Sanvito S.

Nat Commun. 2015 Apr 27;6:7026. doi: 10.1038/ncomms8026.

40.

Single-atom based coherent quantum interference device structure.

Naydenov B, Rungger I, Mantega M, Sanvito S, Boland JJ.

Nano Lett. 2015 May 13;15(5):2881-6. doi: 10.1021/nl5045154. Epub 2015 Apr 3.

PMID:
25826690
41.

Topological tuning in three-dimensional dirac semimetals.

Narayan A, Di Sante D, Picozzi S, Sanvito S.

Phys Rev Lett. 2014 Dec 19;113(25):256403. Epub 2014 Dec 17.

PMID:
25554898
42.

Microscopic origin of the 1.3 G(0) conductance observed in oxygen-doped silver quantum point contacts.

Tu X, Wang M, Sanvito S, Hou S.

J Chem Phys. 2014 Nov 21;141(19):194702. doi: 10.1063/1.4901945.

PMID:
25416900
43.

Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes.

Li Y, Tu X, Wang M, Wang H, Sanvito S, Hou S.

J Chem Phys. 2014 Nov 7;141(17):174702. doi: 10.1063/1.4900511. Erratum in: J Chem Phys. 2014 Nov 21;141(19):199901.

PMID:
25381533
44.

Stretching of BDT-gold molecular junctions: thiol or thiolate termination?

Souza Ade M, Rungger I, Pontes RB, Rocha AR, da Silva AJ, Schwingenschlöegl U, Sanvito S.

Nanoscale. 2014 Nov 6;6(23):14495-507. doi: 10.1039/c4nr04081c.

PMID:
25347152
45.

Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes.

Wu K, Bai M, Sanvito S, Hou S.

J Chem Phys. 2014 Jul 7;141(1):014707. doi: 10.1063/1.4886378.

PMID:
25005303
46.

Spin transport properties of triarylamine-based nanowires.

Bhattacharya S, Akande A, Sanvito S.

Chem Commun (Camb). 2014 Jun 25;50(50):6626-9. doi: 10.1039/c4cc01710b.

PMID:
24825819
47.

Unusual stacking variations in liquid-phase exfoliated transition metal dichalcogenides.

Shmeliov A, Shannon M, Wang P, Kim JS, Okunishi E, Nellist PD, Dolui K, Sanvito S, Nicolosi V.

ACS Nano. 2014 Apr 22;8(4):3690-9. doi: 10.1021/nn5003387. Epub 2014 Mar 5.

PMID:
24588696
48.

First principles study of the structural, electronic, and transport properties of triarylamine-based nanowires.

Akande A, Bhattacharya S, Cathcart T, Sanvito S.

J Chem Phys. 2014 Feb 21;140(7):074301. doi: 10.1063/1.4864754.

PMID:
24559347
49.

Quantitative interpretation of the transition voltages in gold-poly(phenylene) thiol-gold molecular junctions.

Wu K, Bai M, Sanvito S, Hou S.

J Chem Phys. 2013 Nov 21;139(19):194703. doi: 10.1063/1.4830399.

PMID:
24320340
50.

Tailoring highly conductive graphene nanoribbons from small polycyclic aromatic hydrocarbons: a computational study.

Bilić A, Sanvito S.

J Phys Condens Matter. 2013 Jul 10;25(27):275301. doi: 10.1088/0953-8984/25/27/275301. Epub 2013 Jun 14.

PMID:
23765375

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