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Items: 33


Constructing the Electronic Structure of CH3NH3PbI3 and CH3NH3PbBr3 Perovskite Thin Films from Single-Crystal Band Structure Measurements.

Zu F, Amsalem P, Egger DA, Wang R, Wolff CM, Fang H, Loi MA, Neher D, Kronik L, Duhm S, Koch N.

J Phys Chem Lett. 2019 Feb 7;10(3):601-609. doi: 10.1021/acs.jpclett.8b03728. Epub 2019 Jan 25.


How Lattice and Charge Fluctuations Control Carrier Dynamics in Halide Perovskites.

Mayers MZ, Tan LZ, Egger DA, Rappe AM, Reichman DR.

Nano Lett. 2018 Dec 12;18(12):8041-8046. doi: 10.1021/acs.nanolett.8b04276. Epub 2018 Nov 12.


Intermediate Bands in Zero-Dimensional Antimony Halide Perovskites.

Egger DA.

J Phys Chem Lett. 2018 Aug 16;9(16):4652-4656. doi: 10.1021/acs.jpclett.8b01730. Epub 2018 Aug 2.


What Remains Unexplained about the Properties of Halide Perovskites?

Egger DA, Bera A, Cahen D, Hodes G, Kirchartz T, Kronik L, Lovrincic R, Rappe AM, Reichman DR, Yaffe O.

Adv Mater. 2018 May;30(20):e1800691. doi: 10.1002/adma.201800691. Epub 2018 Mar 22. Review.


Electronic structure of dipeptides in the gas-phase and as an adsorbed monolayer.

Guo C, Sarkar S, Refaely-Abramson S, Egger DA, Bendikov T, Yonezawa K, Suda Y, Yamaguchi T, Pecht I, Kera S, Ueno N, Sheves M, Kronik L, Cahen D.

Phys Chem Chem Phys. 2018 Mar 7;20(10):6860-6867. doi: 10.1039/c7cp08043c.


Impact of Small Phonon Energies on the Charge-Carrier Lifetimes in Metal-Halide Perovskites.

Kirchartz T, Markvart T, Rau U, Egger DA.

J Phys Chem Lett. 2018 Mar 1;9(5):939-946. doi: 10.1021/acs.jpclett.7b03414. Epub 2018 Feb 9.


Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites.

Wu X, Tan LZ, Shen X, Hu T, Miyata K, Trinh MT, Li R, Coffee R, Liu S, Egger DA, Makasyuk I, Zheng Q, Fry A, Robinson JS, Smith MD, Guzelturk B, Karunadasa HI, Wang X, Zhu X, Kronik L, Rappe AM, Lindenberg AM.

Sci Adv. 2017 Jul 26;3(7):e1602388. doi: 10.1126/sciadv.1602388. eCollection 2017 Jul.


Effect of Solid-State Polarization on Charge-Transfer Excitations and Transport Levels at Organic Interfaces from a Screened Range-Separated Hybrid Functional.

Zheng Z, Egger DA, Brédas JL, Kronik L, Coropceanu V.

J Phys Chem Lett. 2017 Jul 20;8(14):3277-3283. doi: 10.1021/acs.jpclett.7b01276. Epub 2017 Jul 6.


Local Polar Fluctuations in Lead Halide Perovskite Crystals.

Yaffe O, Guo Y, Tan LZ, Egger DA, Hull T, Stoumpos CC, Zheng F, Heinz TF, Kronik L, Kanatzidis MG, Owen JS, Rappe AM, Pimenta MA, Brus LE.

Phys Rev Lett. 2017 Mar 31;118(13):136001. doi: 10.1103/PhysRevLett.118.136001. Epub 2017 Mar 28.


Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental-Theoretical Study.

Endres J, Egger DA, Kulbak M, Kerner RA, Zhao L, Silver SH, Hodes G, Rand BP, Cahen D, Kronik L, Kahn A.

J Phys Chem Lett. 2016 Jul 21;7(14):2722-9. doi: 10.1021/acs.jpclett.6b00946. Epub 2016 Jul 6.


High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide.

Dastidar S, Egger DA, Tan LZ, Cromer SB, Dillon AD, Liu S, Kronik L, Rappe AM, Fafarman AT.

Nano Lett. 2016 Jun 8;16(6):3563-70. doi: 10.1021/acs.nanolett.6b00635. Epub 2016 May 13.


Adsorption Behavior of Nonplanar Phthalocyanines: Competition of Different Adsorption Conformations.

Wruss E, Hofmann OT, Egger DA, Verwüster E, Gerlach A, Schreiber F, Zojer E.

J Phys Chem C Nanomater Interfaces. 2016 Mar 31;120(12):6869-6875. Epub 2016 Feb 29.


Hybrid Organic-Inorganic Perovskites on the Move.

Egger DA, Rappe AM, Kronik L.

Acc Chem Res. 2016 Mar 15;49(3):573-81. doi: 10.1021/acs.accounts.5b00540. Epub 2016 Feb 15.


Transition voltages respond to synthetic reorientation of embedded dipoles in self-assembled monolayers.

Kovalchuk A, Abu-Husein T, Fracasso D, Egger DA, Zojer E, Zharnikov M, Terfort A, Chiechi RC.

Chem Sci. 2016 Jan 1;7(1):781-787. doi: 10.1039/c5sc03097h. Epub 2015 Oct 22.


Are Mobilities in Hybrid Organic-Inorganic Halide Perovskites Actually "High"?

Brenner TM, Egger DA, Rappe AM, Kronik L, Hodes G, Cahen D.

J Phys Chem Lett. 2015 Dec 3;6(23):4754-7. doi: 10.1021/acs.jpclett.5b02390. Epub 2015 Nov 17. No abstract available.


Impact of Anchoring Groups on Ballistic Transport: Single Molecule vs Monolayer Junctions.

Obersteiner V, Egger DA, Zojer E.

J Phys Chem C Nanomater Interfaces. 2015 Sep 10;119(36):21198-21208. Epub 2015 Aug 13.


Role of Dispersive Interactions in Determining Structural Properties of Organic-Inorganic Halide Perovskites: Insights from First-Principles Calculations.

Egger DA, Kronik L.

J Phys Chem Lett. 2014 Aug 7;5(15):2728-33. doi: 10.1021/jz5012934. Epub 2014 Jul 28.


Perovskite Solar Cells: Do We Know What We Do Not Know?

Egger DA, Edri E, Cahen D, Hodes G.

J Phys Chem Lett. 2015 Jan 15;6(2):279-82. doi: 10.1021/jz502726b. No abstract available.


Hybrid Organic-Inorganic Perovskites (HOIPs): Opportunities and Challenges.

Berry J, Buonassisi T, Egger DA, Hodes G, Kronik L, Loo YL, Lubomirsky I, Marder SR, Mastai Y, Miller JS, Mitzi DB, Paz Y, Rappe AM, Riess I, Rybtchinski B, Stafsudd O, Stevanovic V, Toney MF, Zitoun D, Kahn A, Ginley D, Cahen D.

Adv Mater. 2015 Sep 16;27(35):5102-12. doi: 10.1002/adma.201502294. Epub 2015 Jul 30.


Theory of hydrogen migration in organic-inorganic halide perovskites.

Egger DA, Kronik L, Rappe AM.

Angew Chem Int Ed Engl. 2015 Oct 12;54(42):12437-41. doi: 10.1002/anie.201502544. Epub 2015 Jun 12.


Reliable energy level alignment at physisorbed molecule-metal interfaces from density functional theory.

Egger DA, Liu ZF, Neaton JB, Kronik L.

Nano Lett. 2015 Apr 8;15(4):2448-55. doi: 10.1021/nl504863r. Epub 2015 Mar 9.


A Toolbox for Controlling the Energetics and Localization of Electronic States in Self-Assembled Organic Monolayers.

Kretz B, Egger DA, Zojer E.

Adv Sci (Weinh). 2015 Feb 18;2(3):1400016. eCollection 2015 Mar.


Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional.

Egger DA, Weissman S, Refaely-Abramson S, Sharifzadeh S, Dauth M, Baer R, Kümmel S, Neaton JB, Zojer E, Kronik L.

J Chem Theory Comput. 2014 May 13;10(5):1934-1952. Epub 2014 Mar 25.


Understanding the adsorption of CuPc and ZnPc on noble metal surfaces by combining quantum-mechanical modelling and photoelectron spectroscopy.

Huang YL, Wruss E, Egger DA, Kera S, Ueno N, Saidi WA, Bucko T, Wee AT, Zojer E.

Molecules. 2014 Mar 7;19(3):2969-92. doi: 10.3390/molecules19032969.


Effect of Molecule-Surface Reaction Mechanism on the Electronic Characteristics and Photovoltaic Performance of Molecularly Modified Si.

Yaffe O, Ely T, Har-Lavan R, Egger DA, Johnston S, Cohen H, Kronik L, Vilan A, Cahen D.

J Phys Chem C Nanomater Interfaces. 2013 Oct 31;117(43):22351-22361. Epub 2013 Jun 3.


Anticorrelation between the Evolution of Molecular Dipole Moments and Induced Work Function Modifications.

Egger DA, Zojer E.

J Phys Chem Lett. 2013 Oct 17;4(20):3521-3526. Epub 2013 Sep 26.


Dimensionality effects in the electronic structure of organic semiconductors consisting of polar repeat units.

Rissner F, Natan A, Egger DA, Hofmann OT, Kronik L, Zojer E.

Org Electron. 2012 Dec;13(12-2):3165-3176.


Understanding Structure and Bonding of Multilayered Metal-Organic Nanostructures.

Egger DA, Ruiz VG, Saidi WA, Bučko T, Tkatchenko A, Zojer E.

J Phys Chem C Nanomater Interfaces. 2013 Feb 14;117(6):3055-3061. Epub 2013 Jan 8.


Polarity switching of charge transport and thermoelectricity in self-assembled monolayer devices.

Egger DA, Rissner F, Zojer E, Heimel G.

Adv Mater. 2012 Aug 22;24(32):4403-7. doi: 10.1002/adma.201200872. Epub 2012 Jul 16.


Collectively induced quantum-confined Stark effect in monolayers of molecules consisting of polar repeating units.

Rissner F, Egger DA, Natan A, Körzdörfer T, Kümmel S, Kronik L, Zojer E.

J Am Chem Soc. 2011 Nov 23;133(46):18634-45. doi: 10.1021/ja203579c. Epub 2011 Oct 27.


The electronic structure of mixed self-assembled monolayers.

Rissner F, Egger DA, Romaner L, Heimel G, Zojer E.

ACS Nano. 2010 Nov 23;4(11):6735-46. doi: 10.1021/nn102360d. Epub 2010 Nov 3.


Work-function modification beyond pinning: when do molecular dipoles count?

Hofmann OT, Egger DA, Zojer E.

Nano Lett. 2010 Nov 10;10(11):4369-74. doi: 10.1021/nl101874k.


Self-assembled monolayers of polar molecules on Au(111) surfaces: distributing the dipoles.

Egger DA, Rissner F, Rangger GM, Hofmann OT, Wittwer L, Heimel G, Zojer E.

Phys Chem Chem Phys. 2010 May 7;12(17):4291-4. doi: 10.1039/b924238b. Epub 2010 Feb 25.


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