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Items: 1 to 50 of 134

1.

Synthesis of centimeter-size free-standing perovskite nanosheets from single-crystal lead bromide for optoelectronic devices.

Zheng JY, Manning HG, Zhang Y, Wang JJ, Purcell-Milton F, Pokle A, Porter SB, Zhong C, Li J, O'Reilly Meehan R, Enright R, Gun'ko YK, Nicolosi V, Boland JJ, Sanvito S, Donegan JF.

Sci Rep. 2019 Aug 13;9(1):11738. doi: 10.1038/s41598-019-47902-1.

2.

Learn-and-Match Molecular Cations for Perovskites.

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

J Phys Chem A. 2019 Aug 7. doi: 10.1021/acs.jpca.9b06208. [Epub ahead of print]

PMID:
31343887
3.

First-Principles Investigation of Spin-Phonon Coupling in Vanadium-Based Molecular Spin Quantum Bits.

Albino A, Benci S, Tesi L, Atzori M, Torre R, Sanvito S, Sessoli R, Lunghi A.

Inorg Chem. 2019 Aug 5;58(15):10260-10268. doi: 10.1021/acs.inorgchem.9b01407. Epub 2019 Jul 25.

PMID:
31343163
4.

Dirac-cone induced gating enhancement in single-molecule field-effect transistors.

Sun H, Liu X, Su Y, Deng B, Peng H, Decurtins S, Sanvito S, Liu SX, Hou S, Liao J.

Nanoscale. 2019 Jul 11;11(27):13117-13125. doi: 10.1039/c9nr01551e.

PMID:
31268079
5.

Important At-Sea Areas of Colonial Breeding Marine Predators on the Southern Patagonian Shelf.

Baylis AMM, Tierney M, Orben RA, Warwick-Evans V, Wakefield E, Grecian WJ, Trathan P, Reisinger R, Ratcliffe N, Croxall J, Campioni L, Catry P, Crofts S, Boersma PD, Galimberti F, Granadeiro J, Handley J, Hayes S, Hedd A, Masello JF, Montevecchi WA, Pütz K, Quillfeldt P, Rebstock GA, Sanvito S, Staniland IJ, Brickle P.

Sci Rep. 2019 Jun 11;9(1):8517. doi: 10.1038/s41598-019-44695-1.

6.

A unified picture of the covalent bond within quantum-accurate force fields: From organic molecules to metallic complexes' reactivity.

Lunghi A, Sanvito S.

Sci Adv. 2019 May 31;5(5):eaaw2210. doi: 10.1126/sciadv.aaw2210. eCollection 2019 May.

7.

Ultrahigh conductivity in Weyl semimetal NbAs nanobelts.

Zhang C, Ni Z, Zhang J, Yuan X, Liu Y, Zou Y, Liao Z, Du Y, Narayan A, Zhang H, Gu T, Zhu X, Pi L, Sanvito S, Han X, Zou J, Shi Y, Wan X, Savrasov SY, Xiu F.

Nat Mater. 2019 May;18(5):482-488. doi: 10.1038/s41563-019-0320-9. Epub 2019 Mar 18.

PMID:
30886399
8.

Silver Tarnishing Mechanism Revealed by Molecular Dynamics Simulations.

Saleh G, Xu C, Sanvito S.

Angew Chem Int Ed Engl. 2019 Apr 23;58(18):6017-6021. doi: 10.1002/anie.201901630. Epub 2019 Mar 28.

PMID:
30866112
9.

Correction: Exploring new approaches towards the formability of mixed-ion perovskites by DFT and machine learning.

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

Phys Chem Chem Phys. 2019 Jan 30;21(5):2821. doi: 10.1039/c9cp90013f.

PMID:
30657154
10.

First-Principles Prediction of a Room-Temperature Ferromagnetic Janus VSSe Monolayer with Piezoelectricity, Ferroelasticity, and Large Valley Polarization.

Zhang C, Nie Y, Sanvito S, Du A.

Nano Lett. 2019 Feb 13;19(2):1366-1370. doi: 10.1021/acs.nanolett.8b05050. Epub 2019 Jan 18.

PMID:
30648394
11.

Exploring new approaches towards the formability of mixed-ion perovskites by DFT and machine learning.

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

Phys Chem Chem Phys. 2019 Jan 21;21(3):1078-1088. doi: 10.1039/c8cp06528d. Epub 2018 Dec 19. Erratum in: Phys Chem Chem Phys. 2019 Jan 30;21(5):2821.

PMID:
30566133
12.

Quantum Hall effect based on Weyl orbits in Cd3As2.

Zhang C, Zhang Y, Yuan X, Lu S, Zhang J, Narayan A, Liu Y, Zhang H, Ni Z, Liu R, Choi ES, Suslov A, Sanvito S, Pi L, Lu HZ, Potter AC, Xiu F.

Nature. 2019 Jan;565(7739):331-336. doi: 10.1038/s41586-018-0798-3. Epub 2018 Dec 17.

PMID:
30559378
13.

Demographic histories and genetic diversity across pinnipeds are shaped by human exploitation, ecology and life-history.

Stoffel MA, Humble E, Paijmans AJ, Acevedo-Whitehouse K, Chilvers BL, Dickerson B, Galimberti F, Gemmell NJ, Goldsworthy SD, Nichols HJ, Krüger O, Negro S, Osborne A, Pastor T, Robertson BC, Sanvito S, Schultz JK, Shafer ABA, Wolf JBW, Hoffman JI.

Nat Commun. 2018 Nov 16;9(1):4836. doi: 10.1038/s41467-018-06695-z.

14.

AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis.

Oses C, Gossett E, Hicks D, Rose F, Mehl MJ, Perim E, Takeuchi I, Sanvito S, Scheffler M, Lederer Y, Levy O, Toher C, Curtarolo S.

J Chem Inf Model. 2018 Dec 24;58(12):2477-2490. doi: 10.1021/acs.jcim.8b00393. Epub 2018 Oct 9.

PMID:
30188699
15.

Inducing Strong Superconductivity in WTe2 by a 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 F, Wang Y, Shi Y, Law KT, Sanvito S, Zhou P, Han Z, Xiu F.

ACS Nano. 2018 Jul 24;12(7):7185-7196. doi: 10.1021/acsnano.8b03102. Epub 2018 Jun 21.

PMID:
29901987
16.

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
17.

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.

18.

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
19.

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
20.

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.

21.

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.

22.

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
23.

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
24.

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
25.

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
26.

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
27.

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
28.

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.

29.

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.

30.

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
31.

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
32.

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
33.

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
34.

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
35.

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.

36.

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.

37.

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.

38.

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
39.

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
40.

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
41.

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
42.

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
43.

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
44.

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
45.

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
46.

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
47.

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.

48.

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
49.

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.

50.

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

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