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Neaton, Jeffrey

TitleSci Division Director Faculty
InstitutionLawrence Berkeley National Lab
DepartmentEnergy Sciences
Address1 Cyclotron Road
Berkeley CA 94720
Phone510/486-4527
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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help.
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    1. Aubrey ML, Wiers BM, Andrews SC, Sakurai T, Reyes-Lillo SE, Hamed SM, Yu CJ, Darago LE, Mason JA, Baeg JO, Grandjean F, Long GJ, Seki S, Neaton J, Yang P, Long JR. Electron delocalization and charge mobility as a function of reduction in a metal-organic framework. Nat Mater. 2018 Jun 04. PMID: 29867169.
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    2. Delor M, Dai J, Roberts TD, Rogers JR, Hamed SM, Neaton J, Geissler PL, Francis MB, Ginsberg NS. Exploiting Chromophore-Protein Interactions through Linker Engineering To Tune Photoinduced Dynamics in a Biomimetic Light-Harvesting Platform. J Am Chem Soc. 2018 May 09. PMID: 29741876.
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    3. Frohna K, Deshpande T, Harter J, Peng W, Barker BA, Neaton J, Louie SG, Bakr OM, Hsieh D, Bernardi M. Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals. Nat Commun. 2018 May 08; 9(1):1829. PMID: 29739939.
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    4. Manna AK, Refaely-Abramson S, Reilly AM, Tkatchenko A, Neaton J, Kronik L. Quantitative prediction of optical absorption in molecular solids from an optimally-tuned screened range-separated hybrid functional. J Chem Theory Comput. 2018 May 04. PMID: 29727172.
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    5. Suram SK, Zhou L, Shinde A, Yan Q, Yu J, Umehara M, Stein HS, Neaton J, Gregoire JM. Alkaline-stable nickel manganese oxides with ideal band gap for solar fuel photoanodes. Chem Commun (Camb). 2018 May 01; 54(36):4625-4628. PMID: 29671420.
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    6. Xu R, Gao R, Reyes-Lillo SE, Saremi S, Dong Y, Lu H, Chen Z, Lu X, Qi Y, Hsu SL, Damodaran AR, Zhou H, Neaton J, Martin LW. Reducing Coercive-Field Scaling in Ferroelectric Thin Films via Orientation Control. ACS Nano. 2018 Apr 16. PMID: 29641177.
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    7. Connor BA, Leppert L, Smith MD, Neaton J, Karunadasa HI. Layered Halide Double Perovskites: Dimensional Reduction of Cs2AgBiBr6. J Am Chem Soc. 2018 Apr 18; 140(15):5235-5240. PMID: 29575889.
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    8. Folie BD, Haber JB, Refaely-Abramson S, Neaton J, Ginsberg NS. Long-Lived Correlated Triplet Pairs in a p-Stacked Crystalline Pentacene Derivative. J Am Chem Soc. 2018 Feb 14; 140(6):2326-2335. PMID: 29392936.
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    9. Brisendine JM, Refaely-Abramson S, Liu ZF, Cui J, Ng F, Neaton J, Koder RL, Venkataraman L. Probing Charge Transport through Peptide Bonds. J Phys Chem Lett. 2018 Feb 15; 9(4):763-767. PMID: 29376375.
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    10. Rangel T, Rinn A, Sharifzadeh S, da Jornada FH, Pick A, Louie SG, Witte G, Kronik L, Neaton J, Chatterjee S. Low-lying excited states in crystalline perylene. Proc Natl Acad Sci U S A. 2018 Jan 09; 115(2):284-289. PMID: 29279373.
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    11. Refaely-Abramson S, da Jornada FH, Louie SG, Neaton J. Origins of Singlet Fission in Solid Pentacene from an ab initio Green's Function Approach. Phys Rev Lett. 2017 Dec 29; 119(26):267401. PMID: 29328724.
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    12. Yin X, Zang Y, Zhu L, Low JZ, Liu ZF, Cui J, Neaton J, Venkataraman L, Campos LM. A reversible single-molecule switch based on activated antiaromaticity. Sci Adv. 2017 Oct; 3(10):eaao2615. PMID: 29098181.
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    13. Neaton J. A direct look at halogen bonds. Science. 2017 10 13; 358(6360):167-168. PMID: 29026029.
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    14. Zang Y, Pinkard A, Liu ZF, Neaton J, Steigerwald ML, Roy X, Venkataraman L. Electronically Transparent Au-N Bonds for Molecular Junctions. J Am Chem Soc. 2017 Oct 25; 139(42):14845-14848. PMID: 28981277.
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    15. Rangel T, Fregoso BM, Mendoza BS, Morimoto T, Moore JE, Neaton J. Large Bulk Photovoltaic Effect and Spontaneous Polarization of Single-Layer Monochalcogenides. Phys Rev Lett. 2017 Aug 11; 119(6):067402. PMID: 28949640.
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    16. Witte J, Neaton J, Head-Gordon M. Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C. J Chem Phys. 2017 Jun 21; 146(23):234105. PMID: 28641421.
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    17. Berland K, Jiao Y, Lee JH, Rangel T, Neaton J, Hyldgaard P. Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules. J Chem Phys. 2017 Jun 21; 146(23):234106. PMID: 28641426.
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    18. Park M, Kornienko N, Reyes-Lillo SE, Lai M, Neaton J, Yang P, Mathies RA. Critical Role of Methylammonium Librational Motion in Methylammonium Lead Iodide (CH3NH3PbI3) Perovskite Photochemistry. Nano Lett. 2017 Jul 12; 17(7):4151-4157. PMID: 28562052.
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    19. Rangel T, Hamed SM, Bruneval F, Neaton J. An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation. J Chem Phys. 2017 May 21; 146(19):194108. PMID: 28527441.
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    20. Vlaisavljevich B, Huck J, Hulvey Z, Lee K, Mason JA, Neaton J, Long JR, Brown CM, Alfè D, Michaelides A, Smit B. Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks. J Phys Chem A. 2017 Jun 01; 121(21):4139-4151. PMID: 28436661.
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    21. Witte J, Mardirossian N, Neaton J, Head-Gordon M. Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better? J Chem Theory Comput. 2017 May 09; 13(5):2043-2052. PMID: 28394597.
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    22. Slavney AH, Leppert L, Bartesaghi D, Gold-Parker A, Toney MF, Savenije TJ, Neaton J, Karunadasa HI. Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption. J Am Chem Soc. 2017 Apr 04. PMID: 28353345.
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    23. Yan Q, Yu J, Suram SK, Zhou L, Shinde A, Newhouse PF, Chen W, Li G, Persson KA, Gregoire JM, Neaton J. Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment. Proc Natl Acad Sci U S A. 2017 03 21; 114(12):3040-3043. PMID: 28265095.
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    24. Leppert L, Reyes-Lillo SE, Neaton J. Electric Field- and Strain-Induced Rashba Effect in Hybrid Halide Perovskites. J Phys Chem Lett. 2016 Sep 15; 7(18):3683-9. PMID: 27577732.
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    25. Witte J, Neaton J, Head-Gordon M. Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory. J Chem Phys. 2016 May 21; 144(19):194306. PMID: 27208948.
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    26. Capozzi B, Low JZ, Xia J, Liu ZF, Neaton J, Campos LM, Venkataraman L. Mapping the Transmission Functions of Single-Molecule Junctions. Nano Lett. 2016 Jun 08; 16(6):3949-54. PMID: 27186894.
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    27. Rangel T, Hamed SM, Bruneval F, Neaton J. Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes. J Chem Theory Comput. 2016 Jun 14; 12(6):2834-42. PMID: 27123935.
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    28. Mann GW, Lee K, Cococcioni M, Smit B, Neaton J. First-principles Hubbard U approach for small molecule binding in metal-organic frameworks. J Chem Phys. 2016 May 07; 144(17):174104. PMID: 27155622.
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    29. Kronik L, Neaton J. Excited-State Properties of Molecular Solids from First Principles. Annu Rev Phys Chem. 2016 05 27; 67:587-616. PMID: 27090844.
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    30. Zhou L, Yan Q, Yu J, Jones RJ, Becerra-Stasiewicz N, Suram SK, Shinde A, Guevarra D, Neaton J, Persson KA, Gregoire JM. Stability and self-passivation of copper vanadate photoanodes under chemical, electrochemical, and photoelectrochemical operation. Phys Chem Chem Phys. 2016 Apr 14; 18(14):9349-52. PMID: 26997488.
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    31. Li Y, Zolotavin P, Doak P, Kronik L, Neaton J, Natelson D. Interplay of Bias-Driven Charging and the Vibrational Stark Effect in Molecular Junctions. Nano Lett. 2016 Feb 10; 16(2):1104-9. PMID: 26814562.
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    32. van Setten MJ, Caruso F, Sharifzadeh S, Ren X, Scheffler M, Liu F, Lischner J, Lin L, Deslippe JR, Louie SG, Yang C, Weigend F, Neaton J, Evers F, Rinke P. GW100: Benchmarking G0W0 for Molecular Systems. J Chem Theory Comput. 2015 Dec 08; 11(12):5665-87. PMID: 26642984.
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    33. Neaton J. Multidisciplinary Science at the Molecular Foundry. Adv Mater. 2015 Oct 14; 27(38):5634-6. PMID: 26448599.
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    34. Drisdell WS, Poloni R, McDonald TM, Pascal TA, Wan LF, Das Pemmaraju C, Vlaisavljevich B, Odoh SO, Neaton J, Long JR, Prendergast D, Kortright JB. Probing the mechanism of CO2 capture in diamine-appended metal-organic frameworks using measured and simulated X-ray spectroscopy. Phys Chem Chem Phys. 2015 Sep 07; 17(33):21448-57. PMID: 26219236.
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    35. Bruneval F, Hamed SM, Neaton J. A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules. J Chem Phys. 2015 Jun 28; 142(24):244101. PMID: 26133404.
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    36. Kotiuga M, Darancet P, Arroyo CR, Venkataraman L, Neaton J. Adsorption-Induced Solvent-Based Electrostatic Gating of Charge Transport through Molecular Junctions. Nano Lett. 2015 Jul 08; 15(7):4498-503. PMID: 26066095.
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    37. Vlaisavljevich B, Odoh SO, Schnell SK, Dzubak AL, Lee K, Planas N, Neaton J, Gagliardi L, Smit B. CO2 induced phase transitions in diamine-appended metal-organic frameworks. Chem Sci. 2015 Sep 01; 6(9):5177-5185. PMID: 28717499.
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    38. Bernardi M, Mustafa J, Neaton J, Louie SG. Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals. Nat Commun. 2015 Jun 02; 6:7044. PMID: 26033445; PMCID: PMC4458868.
    39. Lee JS, Vlaisavljevich B, Britt DK, Brown CM, Haranczyk M, Neaton J, Smit B, Long JR, Queen WL. Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory. Adv Mater. 2015 Oct 14; 27(38):5785-96. PMID: 26033176.
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    40. Capozzi B, Xia J, Adak O, Dell EJ, Liu ZF, Taylor JC, Neaton J, Campos LM, Venkataraman L. Single-molecule diodes with high rectification ratios through environmental control. Nat Nanotechnol. 2015 Jun; 10(6):522-7. PMID: 26005998.
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    41. Witte J, Goldey M, Neaton J, Head-Gordon M. Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches. J Chem Theory Comput. 2015 Apr 14; 11(4):1481-92. PMID: 26574359.
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    42. Bernardi M, Vigil-Fowler D, Ong CS, Neaton J, Louie SG. Ab initio study of hot electrons in GaAs. Proc Natl Acad Sci U S A. 2015 Apr 28; 112(17):5291-6. PMID: 25870287; PMCID: PMC4418885.
    43. McDonald TM, Mason JA, Kong X, Bloch ED, Gygi D, Dani A, Crocellà V, Giordanino F, Odoh SO, Drisdell WS, Vlaisavljevich B, Dzubak AL, Poloni R, Schnell SK, Planas N, Lee K, Pascal T, Wan LF, Prendergast D, Neaton J, Smit B, Kortright JB, Gagliardi L, Bordiga S, Reimer JA, Long JR. Cooperative insertion of CO2 in diamine-appended metal-organic frameworks. Nature. 2015 Mar 19; 519(7543):303-8. PMID: 25762144.
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    44. Egger DA, Liu ZF, Neaton J, Kronik L. Reliable energy level alignment at physisorbed molecule-metal interfaces from density functional theory. Nano Lett. 2015 Apr 08; 15(4):2448-55. PMID: 25741626; PMCID: PMC4392703.
    45. Yu J, Yan Q, Chen W, Jain A, Neaton J, Persson KA. First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst. Chem Commun (Camb). 2015 Feb 18; 51(14):2867-70. PMID: 25582626.
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    46. Coto PB, Sharifzadeh S, Neaton J, Thoss M. Low-lying electronic excited states of pentacene oligomers: a comparative electronic structure study in the context of singlet fission. J Chem Theory Comput. 2015 Jan 13; 11(1):147-56. PMID: 26574213.
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    47. Neaton J. Single-molecule junctions: thermoelectricity at the gate. Nat Nanotechnol. 2014 Nov; 9(11):876-7. PMID: 25370426.
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    48. Liu ZF, Neaton J. Communication: energy-dependent resonance broadening in symmetric and asymmetric molecular junctions from an ab initio non-equilibrium Green's function approach. J Chem Phys. 2014 Oct 07; 141(13):131104. PMID: 25296777.
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    49. Lynch J, Kotiuga M, Doan-Nguyen VV, Queen WL, Forster JD, Schlitz RA, Murray CB, Neaton J, Chabinyc ML, Urban JJ. Ligand coupling symmetry correlates with thermopower enhancement in small-molecule/nanocrystal hybrid materials. ACS Nano. 2014 Oct 28; 8(10):10528-36. PMID: 25211028.
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    50. Cedeno D, Krawicz A, Doak P, Yu M, Neaton J, Moore GF. Using Molecular Design to Control the Performance of Hydrogen-Producing Polymer-Brush-Modified Photocathodes. J Phys Chem Lett. 2014 Sep 18; 5(18):3222-6. PMID: 26276336.
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    51. Liu K, Yan Q, Chen M, Fan W, Sun Y, Suh J, Fu D, Lee S, Zhou J, Tongay S, Ji J, Neaton J, Wu J. Elastic properties of chemical-vapor-deposited monolayer MoS2, WS2, and their bilayer heterostructures. Nano Lett. 2014 Sep 10; 14(9):5097-103. PMID: 25120033.
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    52. Liu ZF, Wei S, Yoon H, Adak O, Ponce I, Jiang Y, Jang WD, Campos LM, Venkataraman L, Neaton J. Control of single-molecule junction conductance of porphyrins via a transition-metal center. Nano Lett. 2014 Sep 10; 14(9):5365-70. PMID: 25111197.
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    53. Tamblyn I, Refaely-Abramson S, Neaton J, Kronik L. Simultaneous Determination of Structures, Vibrations, and Frontier Orbital Energies from a Self-Consistent Range-Separated Hybrid Functional. J Phys Chem Lett. 2014 Aug 07; 5(15):2734-41. PMID: 26277972.
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    54. Bloch ED, Hudson MR, Mason JA, Chavan S, Crocellà V, Howe JD, Lee K, Dzubak AL, Queen WL, Zadrozny JM, Geier SJ, Lin LC, Gagliardi L, Smit B, Neaton J, Bordiga S, Brown CM, Long JR. Reversible CO binding enables tunable CO/H2 and CO/N2 separations in metal-organic frameworks with exposed divalent metal cations. J Am Chem Soc. 2014 Jul 30; 136(30):10752-61. PMID: 24999916.
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    55. Kim T, Liu ZF, Lee C, Neaton J, Venkataraman L. Charge transport and rectification in molecular junctions formed with carbon-based electrodes. Proc Natl Acad Sci U S A. 2014 Jul 29; 111(30):10928-32. PMID: 25024198; PMCID: PMC4121811.
    56. Rivest JB, Li G, Sharp ID, Neaton J, Milliron DJ. Phosphonic Acid Adsorbates Tune the Surface Potential of TiO2 in Gas and Liquid Environments. J Phys Chem Lett. 2014 Jul 17; 5(14):2450-4. PMID: 26277814.
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    57. Bernardi M, Vigil-Fowler D, Lischner J, Neaton J, Louie SG. ab initio study of hot carriers in the first picosecond after sunlight absorption in silicon. Phys Rev Lett. 2014 Jun 27; 112(25):257402. PMID: 25014830.
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    58. Egger DA, Weissman S, Refaely-Abramson S, Sharifzadeh S, Dauth M, Baer R, Kümmel S, Neaton J, Zojer E, Kronik L. Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional. J Chem Theory Comput. 2014 May 13; 10(5):1934-1952. PMID: 24839410.
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    59. Witte J, Neaton J, Head-Gordon M. Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: the CO2-benzene complex. J Chem Phys. 2014 Mar 14; 140(10):104707. PMID: 24628196.
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    60. Lin LC, Lee K, Gagliardi L, Neaton J, Smit B. Force-Field Development from Electronic Structure Calculations with Periodic Boundary Conditions: Applications to Gaseous Adsorption and Transport in Metal-Organic Frameworks. J Chem Theory Comput. 2014 Apr 08; 10(4):1477-88. PMID: 26580364.
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    61. Poloni R, Lee K, Berger RF, Smit B, Neaton J. Understanding Trends in CO2 Adsorption in Metal-Organic Frameworks with Open-Metal Sites. J Phys Chem Lett. 2014 Mar 06; 5(5):861-5. PMID: 26274079.
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    62. Capozzi B, Chen Q, Darancet P, Kotiuga M, Buzzeo M, Neaton J, Nuckolls C, Venkataraman L. Tunable charge transport in single-molecule junctions via electrolytic gating. Nano Lett. 2014 Mar 12; 14(3):1400-4. PMID: 24490721.
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    63. Kim T, Darancet P, Widawsky JR, Kotiuga M, Quek SY, Neaton J, Venkataraman L. Determination of energy level alignment and coupling strength in 4,4'-bipyridine single-molecule junctions. Nano Lett. 2014 Feb 12; 14(2):794-8. PMID: 24446585.
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    64. Li Y, Doak P, Kronik L, Neaton J, Natelson D. Voltage tuning of vibrational mode energies in single-molecule junctions. Proc Natl Acad Sci U S A. 2014 Jan 28; 111(4):1282-7. PMID: 24474749; PMCID: PMC3910565.
    65. Lee K, Isley WC, Dzubak AL, Verma P, Stoneburner SJ, Lin LC, Howe JD, Bloch ED, Reed DA, Hudson MR, Brown CM, Long JR, Neaton J, Smit B, Cramer CJ, Truhlar DG, Gagliardi L. Design of a metal-organic framework with enhanced back bonding for separation of N2 and CH4. J Am Chem Soc. 2014 Jan 15; 136(2):698-704. PMID: 24313689.
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    66. Haranczyk M, Lin LC, Lee K, Martin RL, Neaton J, Smit B. Methane storage capabilities of diamond analogues. Phys Chem Chem Phys. 2013 Dec 28; 15(48):20937-42. PMID: 24202112.
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    67. Haxton TK, Zhou H, Tamblyn I, Eom D, Hu Z, Neaton J, Heinz TF, Whitelam S. Competing thermodynamic and dynamic factors select molecular assemblies on a gold surface. Phys Rev Lett. 2013 Dec 27; 111(26):265701. PMID: 24483804.
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    68. Batra A, Darancet P, Chen Q, Meisner JS, Widawsky JR, Neaton J, Nuckolls C, Venkataraman L. Tuning rectification in single-molecular diodes. Nano Lett. 2013; 13(12):6233-7. PMID: 24274757.
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    69. Drisdell WS, Poloni R, McDonald TM, Long JR, Smit B, Neaton J, Prendergast D, Kortright JB. Probing adsorption interactions in metal-organic frameworks using X-ray spectroscopy. J Am Chem Soc. 2013 Dec 04; 135(48):18183-90. PMID: 24224556.
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    70. Goldstein AP, Andrews SC, Berger RF, Radmilovic VR, Neaton J, Yang P. Zigzag inversion domain boundaries in indium zinc oxide-based nanowires: structure and formation. ACS Nano. 2013 Dec 23; 7(12):10747-51. PMID: 24237264.
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    71. Yu M, Doak P, Tamblyn I, Neaton J. Theory of Covalent Adsorbate Frontier Orbital Energies on Functionalized Light-Absorbing Semiconductor Surfaces. J Phys Chem Lett. 2013 May 16; 4(10):1701-6. PMID: 26282981.
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    72. Planas N, Dzubak AL, Poloni R, Lin LC, McManus A, McDonald TM, Neaton J, Long JR, Smit B, Gagliardi L. The mechanism of carbon dioxide adsorption in an alkylamine-functionalized metal-organic framework. J Am Chem Soc. 2013 May 22; 135(20):7402-5. PMID: 23627764.
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    73. Refaely-Abramson S, Sharifzadeh S, Govind N, Autschbach J, Neaton J, Baer R, Kronik L. Quasiparticle spectra from a nonempirical optimally tuned range-separated hybrid density functional. Phys Rev Lett. 2012 Nov 30; 109(22):226405. PMID: 23368141.
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    74. Darancet P, Widawsky JR, Choi HJ, Venkataraman L, Neaton J. Quantitative current-voltage characteristics in molecular junctions from first principles. Nano Lett. 2012 Dec 12; 12(12):6250-4. PMID: 23167709.
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    75. Grünwald M, Zayak A, Neaton J, Geissler PL, Rabani E. Transferable pair potentials for CdS and ZnS crystals. J Chem Phys. 2012 Jun 21; 136(23):234111. PMID: 22779585.
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    76. Zayak AT, Choo H, Hu YS, Gargas DJ, Cabrini S, Bokor J, Schuck PJ, Neaton J. Harnessing Chemical Raman Enhancement for Understanding Organic Adsorbate Binding on Metal Surfaces. J Phys Chem Lett. 2012 May 17; 3(10):1357-62. PMID: 26286783.
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    77. Poloni R, Smit B, Neaton J. CO2 capture by metal-organic frameworks with van der Waals density functionals. J Phys Chem A. 2012 May 24; 116(20):4957-64. PMID: 22519821.
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    78. Poloni R, Smit B, Neaton J. Ligand-assisted enhancement of CO2 capture in metal-organic frameworks. J Am Chem Soc. 2012 Apr 18; 134(15):6714-9. PMID: 22463719.
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    79. Yang S, Prendergast D, Neaton J. Tuning semiconductor band edge energies for solar photocatalysis via surface ligand passivation. Nano Lett. 2012 Jan 11; 12(1):383-8. PMID: 22192078.
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    80. Widawsky JR, Darancet P, Neaton J, Venkataraman L. Simultaneous determination of conductance and thermopower of single molecule junctions. Nano Lett. 2012 Jan 11; 12(1):354-8. PMID: 22128800.
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    81. Yee SK, Sun J, Darancet P, Tilley TD, Majumdar A, Neaton J, Segalman RA. Inverse rectification in donor-acceptor molecular heterojunctions. ACS Nano. 2011 Nov 22; 5(11):9256-63. PMID: 22010940.
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    82. Biller A, Tamblyn I, Neaton J, Kronik L. Electronic level alignment at a metal-molecule interface from a short-range hybrid functional. J Chem Phys. 2011 Oct 28; 135(16):164706. PMID: 22047262.
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    83. Berger RF, Fennie CJ, Neaton J. Band gap and edge engineering via ferroic distortion and anisotropic strain: the case of SrTiO(3). Phys Rev Lett. 2011 Sep 30; 107(14):146804. PMID: 22107228.
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    84. Quek SY, Choi HJ, Louie SG, Neaton J. Thermopower of amine-gold-linked aromatic molecular junctions from first principles. ACS Nano. 2011 Jan 25; 5(1):551-7. PMID: 21171633.
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    85. Yang S, Prendergast D, Neaton J. Strain-induced band gap modification in coherent core/shell nanostructures. Nano Lett. 2010 Aug 11; 10(8):3156-62. PMID: 20698631.
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    86. Chandra B, Bhattacharjee J, Purewal M, Son YW, Wu Y, Huang M, Yan H, Heinz TF, Kim P, Neaton J, Hone J. Molecular-scale quantum dots from carbon nanotube heterojunctions. Nano Lett. 2009 Apr; 9(4):1544-8. PMID: 19278212.
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    87. Jasti R, Bhattacharjee J, Neaton J, Bertozzi CR. Synthesis, characterization, and theory of [9]-, [12]-, and [18]cycloparaphenylene: carbon nanohoop structures. J Am Chem Soc. 2008 Dec 31; 130(52):17646-7. PMID: 19055403; PMCID: PMC2709987.
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