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Items: 1 to 50 of 58

1.

First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials.

Poncé S, Li W, Reichardt S, Giustino F.

Rep Prog Phys. 2020 Mar;83(3):036501. doi: 10.1088/1361-6633/ab6a43. Epub 2020 Jan 10.

PMID:
31923906
2.

Slot-Die-Printed Two-Dimensional ZrS3 Charge Transport Layer for Perovskite Light-Emitting Diodes.

Muratov DS, Ishteev AR, Lypenko DA, Vanyushin VO, Gostishev P, Perova S, Saranin DS, Rossi D, Auf der Maur M, Volonakis G, Giustino F, Persson POÅ, Kuznetsov DV, Sinitskii A, Di Carlo A.

ACS Appl Mater Interfaces. 2019 Dec 26;11(51):48021-48028. doi: 10.1021/acsami.9b16457. Epub 2019 Dec 13.

PMID:
31793761
3.

Route to High Hole Mobility in GaN via Reversal of Crystal-Field Splitting.

Poncé S, Jena D, Giustino F.

Phys Rev Lett. 2019 Aug 30;123(9):096602. doi: 10.1103/PhysRevLett.123.096602.

PMID:
31524479
4.

Polarons from First Principles, without Supercells.

Sio WH, Verdi C, Poncé S, Giustino F.

Phys Rev Lett. 2019 Jun 21;122(24):246403. doi: 10.1103/PhysRevLett.122.246403.

PMID:
31322376
5.

Coexistence of Superconductivity with Enhanced Charge Density Wave Order in the Two-Dimensional Limit of TaSe2.

Lian CS, Heil C, Liu X, Si C, Giustino F, Duan W.

J Phys Chem Lett. 2019 Jul 18;10(14):4076-4081. doi: 10.1021/acs.jpclett.9b01480. Epub 2019 Jul 9.

PMID:
31276411
6.

Oxide Analogs of Halide Perovskites and the New Semiconductor Ba2AgIO6.

Volonakis G, Sakai N, Snaith HJ, Giustino F.

J Phys Chem Lett. 2019 Apr 18;10(8):1722-1728. doi: 10.1021/acs.jpclett.9b00193. Epub 2019 Mar 28.

PMID:
30920840
7.

Manipulating surface magnetic order in iron telluride.

Trainer C, Yim CM, Heil C, Giustino F, Croitori D, Tsurkan V, Loidl A, Rodriguez EE, Stock C, Wahl P.

Sci Adv. 2019 Mar 1;5(3):eaav3478. doi: 10.1126/sciadv.aav3478. eCollection 2019 Mar.

8.

Dimensional Crossover in the Carrier Mobility of Two-Dimensional Semiconductors: The Case of InSe.

Li W, Poncé S, Giustino F.

Nano Lett. 2019 Mar 13;19(3):1774-1781. doi: 10.1021/acs.nanolett.8b04799. Epub 2019 Feb 12.

PMID:
30734566
9.

Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CH_{3}NH_{3}PbI_{3} from Multiphonon Fröhlich Coupling.

Schlipf M, Poncé S, Giustino F.

Phys Rev Lett. 2018 Aug 24;121(8):086402. doi: 10.1103/PhysRevLett.121.086402.

PMID:
30192620
10.

Crossover from lattice to plasmonic polarons of a spin-polarised electron gas in ferromagnetic EuO.

Riley JM, Caruso F, Verdi C, Duffy LB, Watson MD, Bawden L, Volckaert K, van der Laan G, Hesjedal T, Hoesch M, Giustino F, King PDC.

Nat Commun. 2018 Jun 13;9(1):2305. doi: 10.1038/s41467-018-04749-w.

11.

The geometric blueprint of perovskites.

Filip MR, Giustino F.

Proc Natl Acad Sci U S A. 2018 May 22;115(21):5397-5402. doi: 10.1073/pnas.1719179115. Epub 2018 May 7.

12.

High-Efficiency Fullerene Solar Cells Enabled by a Spontaneously Formed Mesostructured CuSCN-Nanowire Heterointerface.

Sit WY, Eisner FD, Lin YH, Firdaus Y, Seitkhan A, Balawi AH, Laquai F, Burgess CH, McLachlan MA, Volonakis G, Giustino F, Anthopoulos TD.

Adv Sci (Weinh). 2018 Feb 2;5(4):1700980. doi: 10.1002/advs.201700980. eCollection 2018 Apr.

13.

Universal Scaling of Intrinsic Resistivity in Two-Dimensional Metallic Borophene.

Zhang J, Zhang J, Zhou L, Cheng C, Lian C, Liu J, Tretiak S, Lischner J, Giustino F, Meng S.

Angew Chem Int Ed Engl. 2018 Apr 16;57(17):4585-4589. doi: 10.1002/anie.201800087. Epub 2018 Mar 14.

PMID:
29485742
14.

Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2.

Maitra U, House RA, Somerville JW, Tapia-Ruiz N, Lozano JG, Guerrini N, Hao R, Luo K, Jin L, Pérez-Osorio MA, Massel F, Pickup DM, Ramos S, Lu X, McNally DE, Chadwick AV, Giustino F, Schmitt T, Duda LC, Roberts MR, Bruce PG.

Nat Chem. 2018 Mar;10(3):288-295. doi: 10.1038/nchem.2923. Epub 2018 Jan 22.

PMID:
29461536
15.

Bimolecular recombination in methylammonium lead triiodide perovskite is an inverse absorption process.

Davies CL, Filip MR, Patel JB, Crothers TW, Verdi C, Wright AD, Milot RL, Giustino F, Johnston MB, Herz LM.

Nat Commun. 2018 Jan 18;9(1):293. doi: 10.1038/s41467-017-02670-2.

16.

Advanced capabilities for materials modelling with Quantum ESPRESSO.

Giannozzi P, Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, DiStasio RA, Ferretti A, Floris A, Fratesi G, Fugallo G, Gebauer R, Gerstmann U, Giustino F, Gorni T, Jia J, Kawamura M, Ko HY, Kokalj A, Küçükbenli E, Lazzeri M, Marsili M, Marzari N, Mauri F, Nguyen NL, Nguyen HV, Otero-de-la-Roza A, Paulatto L, Poncé S, Rocca D, Sabatini R, Santra B, Schlipf M, Seitsonen AP, Smogunov A, Timrov I, Thonhauser T, Umari P, Vast N, Wu X, Baroni S.

J Phys Condens Matter. 2017 Nov 22;29(46):465901. doi: 10.1088/1361-648X/aa8f79. Epub 2017 Oct 24.

17.

Origin of Superconductivity and Latent Charge Density Wave in NbS_{2}.

Heil C, Poncé S, Lambert H, Schlipf M, Margine ER, Giustino F.

Phys Rev Lett. 2017 Aug 25;119(8):087003. doi: 10.1103/PhysRevLett.119.087003. Epub 2017 Aug 24.

PMID:
28952767
18.

Route to Stable Lead-Free Double Perovskites with the Electronic Structure of CH3NH3PbI3: A Case for Mixed-Cation [Cs/CH3NH3/CH(NH2)2]2InBiBr6.

Volonakis G, Haghighirad AA, Snaith HJ, Giustino F.

J Phys Chem Lett. 2017 Aug 17;8(16):3917-3924. doi: 10.1021/acs.jpclett.7b01584. Epub 2017 Aug 8.

PMID:
28745888
19.

Nonadiabatic Kohn Anomaly in Heavily Boron-Doped Diamond.

Caruso F, Hoesch M, Achatz P, Serrano J, Krisch M, Bustarret E, Giustino F.

Phys Rev Lett. 2017 Jul 7;119(1):017001. doi: 10.1103/PhysRevLett.119.017001. Epub 2017 Jul 6.

PMID:
28731743
20.

Origin of the crossover from polarons to Fermi liquids in transition metal oxides.

Verdi C, Caruso F, Giustino F.

Nat Commun. 2017 Jun 8;8:15769. doi: 10.1038/ncomms15769.

21.

Solution-Processed Cesium Hexabromopalladate(IV), Cs2PdBr6, for Optoelectronic Applications.

Sakai N, Haghighirad AA, Filip MR, Nayak PK, Nayak S, Ramadan A, Wang Z, Giustino F, Snaith HJ.

J Am Chem Soc. 2017 May 3;139(17):6030-6033. doi: 10.1021/jacs.6b13258. Epub 2017 Apr 20.

PMID:
28426219
22.

Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap.

Volonakis G, Haghighirad AA, Milot RL, Sio WH, Filip MR, Wenger B, Johnston MB, Herz LM, Snaith HJ, Giustino F.

J Phys Chem Lett. 2017 Feb 16;8(4):772-778. doi: 10.1021/acs.jpclett.6b02682. Epub 2017 Jan 31.

PMID:
28133967
23.

Perovskite-perovskite tandem photovoltaics with optimized band gaps.

Eperon GE, Leijtens T, Bush KA, Prasanna R, Green T, Wang JT, McMeekin DP, Volonakis G, Milot RL, May R, Palmstrom A, Slotcavage DJ, Belisle RA, Patel JB, Parrott ES, Sutton RJ, Ma W, Moghadam F, Conings B, Babayigit A, Boyen HG, Bent S, Giustino F, Herz LM, Johnston MB, McGehee MD, Snaith HJ.

Science. 2016 Nov 18;354(6314):861-865. Epub 2016 Oct 20.

PMID:
27856902
24.

Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment.

Filip MR, Hillman S, Haghighirad AA, Snaith HJ, Giustino F.

J Phys Chem Lett. 2016 Jul 7;7(13):2579-85. doi: 10.1021/acs.jpclett.6b01041. Epub 2016 Jun 23.

PMID:
27322413
25.

Electron-phonon coupling in hybrid lead halide perovskites.

Wright AD, Verdi C, Milot RL, Eperon GE, Pérez-Osorio MA, Snaith HJ, Giustino F, Johnston MB, Herz LM.

Nat Commun. 2016 May 26;7. doi: 10.1038/ncomms11755.

26.

Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals.

Volonakis G, Filip MR, Haghighirad AA, Sakai N, Wenger B, Snaith HJ, Giustino F.

J Phys Chem Lett. 2016 Apr 7;7(7):1254-9. doi: 10.1021/acs.jpclett.6b00376. Epub 2016 Mar 18.

PMID:
26982118
27.

Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene.

Margine ER, Lambert H, Giustino F.

Sci Rep. 2016 Feb 19;6:21414. doi: 10.1038/srep21414.

28.

Apogeotropic Posterior Semicircular Canal Benign Paroxysmal Positional Vertigo: Some Clinical and Therapeutic Considerations.

Vannucchi P, Pecci R, Giannoni B, Di Giustino F, Santimone R, Mengucci A.

Audiol Res. 2015 Mar 31;5(1):130. doi: 10.4081/audiores.2015.130. eCollection 2015 Jan 21.

29.

Stochastic Approach to Phonon-Assisted Optical Absorption.

Zacharias M, Patrick CE, Giustino F.

Phys Rev Lett. 2015 Oct 23;115(17):177401. doi: 10.1103/PhysRevLett.115.177401. Epub 2015 Oct 19.

PMID:
26551142
30.

Fröhlich Electron-Phonon Vertex from First Principles.

Verdi C, Giustino F.

Phys Rev Lett. 2015 Oct 23;115(17):176401. doi: 10.1103/PhysRevLett.115.176401. Epub 2015 Oct 21.

PMID:
26551127
31.

Ferroelectric Graphene-Perovskite Interfaces.

Volonakis G, Giustino F.

J Phys Chem Lett. 2015 Jul 2;6(13):2496-502. doi: 10.1021/acs.jpclett.5b01099. Epub 2015 Jun 17.

PMID:
26266725
32.

Theory of Electromagnons in CuO.

Cao K, Giustino F, Radaelli PG.

Phys Rev Lett. 2015 May 15;114(19):197201. Epub 2015 May 11.

PMID:
26024192
33.

Band structures of plasmonic polarons.

Caruso F, Lambert H, Giustino F.

Phys Rev Lett. 2015 Apr 10;114(14):146404. Epub 2015 Apr 9.

PMID:
25910145
34.

Steric engineering of metal-halide perovskites with tunable optical band gaps.

Filip MR, Eperon GE, Snaith HJ, Giustino F.

Nat Commun. 2014 Dec 15;5:5757. doi: 10.1038/ncomms6757.

PMID:
25502506
35.

TiO2 anatase with a bandgap in the visible region.

Dette C, Pérez-Osorio MA, Kley CS, Punke P, Patrick CE, Jacobson P, Giustino F, Jung SJ, Kern K.

Nano Lett. 2014 Nov 12;14(11):6533-8. doi: 10.1021/nl503131s. Epub 2014 Oct 2.

PMID:
25252265
36.

Unified theory of electron-phonon renormalization and phonon-assisted optical absorption.

Patrick CE, Giustino F.

J Phys Condens Matter. 2014 Sep 10;26(36):365503. doi: 10.1088/0953-8984/26/36/365503. Epub 2014 Aug 19.

PMID:
25134725
37.

Linear optical response of finite systems using multishift linear system solvers.

Hübener H, Giustino F.

J Chem Phys. 2014 Jul 28;141(4):044117. doi: 10.1063/1.4890736.

PMID:
25084891
38.

Atomic-scale observation of multiconformational binding and energy level alignment of ruthenium-based photosensitizers on TiO2 anatase.

Kley CS, Dette C, Rinke G, Patrick CE, Cechal J, Jung SJ, Baur M, Dürr M, Rauschenbach S, Giustino F, Stepanow S, Kern K.

Nano Lett. 2014 Feb 12;14(2):563-9. doi: 10.1021/nl403717d. Epub 2014 Jan 28.

PMID:
24471471
39.

Quantum nuclear dynamics in the photophysics of diamondoids.

Patrick CE, Giustino F.

Nat Commun. 2013;4:2006. doi: 10.1038/ncomms3006.

PMID:
23756460
40.

Strong carrier lifetime enhancement in GaAs nanowires coated with semiconducting polymer.

Yong CK, Noori K, Gao Q, Joyce HJ, Tan HH, Jagadish C, Giustino F, Johnston MB, Herz LM.

Nano Lett. 2012 Dec 12;12(12):6293-301. doi: 10.1021/nl3034027. Epub 2012 Nov 29.

PMID:
23171081
41.

Quantitative analysis of valence photoemission spectra and quasiparticle excitations at chromophore-semiconductor interfaces.

Patrick CE, Giustino F.

Phys Rev Lett. 2012 Sep 14;109(11):116801. Epub 2012 Sep 10.

PMID:
23005661
42.

Dislocation-driven deformations in graphene.

Warner JH, Margine ER, Mukai M, Robertson AW, Giustino F, Kirkland AI.

Science. 2012 Jul 13;337(6091):209-12. doi: 10.1126/science.1217529.

43.

GW quasiparticle bandgaps of anatase TiO2 starting from DFT + U.

Patrick CE, Giustino F.

J Phys Condens Matter. 2012 May 23;24(20):202201. doi: 10.1088/0953-8984/24/20/202201. Epub 2012 Apr 18.

PMID:
22510587
44.

Electron-phonon renormalization of the direct band gap of diamond.

Giustino F, Louie SG, Cohen ML.

Phys Rev Lett. 2010 Dec 31;105(26):265501. Epub 2010 Dec 20.

PMID:
21231677
45.

First-principles prediction of doped graphane as a high-temperature electron-phonon superconductor.

Savini G, Ferrari AC, Giustino F.

Phys Rev Lett. 2010 Jul 16;105(3):037002. Epub 2010 Jul 14. Erratum in: Phys Rev Lett. 2010 Jul 30;105(5):059902.

PMID:
20867792
46.

Entangling remote nuclear spins linked by a chromophore.

Schaffry M, Filidou V, Karlen SD, Gauger EM, Benjamin SC, Anderson HL, Ardavan A, Briggs GA, Maeda K, Henbest KB, Giustino F, Morton JJ, Lovett BW.

Phys Rev Lett. 2010 May 21;104(20):200501. Epub 2010 May 17.

PMID:
20867015
47.

Angle-resolved photoemission spectra of graphene from first-principles calculations.

Park CH, Giustino F, Spataru CD, Cohen ML, Louie SG.

Nano Lett. 2009 Dec;9(12):4234-9. doi: 10.1021/nl902448v.

PMID:
19856901
48.

Role of fluorine in the iron pnictides: phonon softening and effective hole doping.

Noffsinger J, Giustino F, Louie SG, Cohen ML.

Phys Rev Lett. 2009 Apr 10;102(14):147003. Epub 2009 Apr 9. Erratum in: Phys Rev Lett. 2009 Jun 5;102(22):229901.

PMID:
19392474
49.

Electron-phonon interactions in graphene, bilayer graphene, and graphite.

Park CH, Giustino F, Cohen ML, Louie SG.

Nano Lett. 2008 Dec;8(12):4229-33. doi: 10.1021/nl801884n.

PMID:
19368001
50.

First-principles study of electron linewidths in graphene.

Park CH, Giustino F, Spataru CD, Cohen ML, Louie SG.

Phys Rev Lett. 2009 Feb 20;102(7):076803. Epub 2009 Feb 20. Erratum in: Phys Rev Lett. 2009 May 8;102(18):189904.

PMID:
19257705

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