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Publications Fiscal Year 2018

1. J Lin, M Lai, L Dou, CS Kley, H Chen, F Peng, J Sun, D Lu, SA Hawks, C Xie, F Cui, AP Alivisatos, DT Limmer, P Yang. Thermochromic halide perovskite solar cells. Nat Mater. 2018 Mar;17(3):261-267. DOI: 10.1038/s41563-017-0006-0

2. JC Ondry, MR Hauwiller, AP Alivisatos. Dynamics and Removal Pathway of Edge Dislocations in Imperfectly Attached PbTe Nanocrystal Pairs: Toward Design Rules for Oriented Attachment. ACS Nano. 2018 Feb 26. DOI: 10.1021/acsnano.8b00638

3. AB Wong, Y Bekenstein, J Kang, CS Kley, D Kim, NA Gibson, D Zhang, Y Yu, SR Leone, LW Wang, AP Alivisatos, P Yang. Strongly quantum confined colloidal cesium tin iodide perovskite nanoplates: lessons for reducing defect density and improving stability. Nano Lett. 2018 Mar. DOI: 10.1021/acs.nanolett.8b00077

4. Y Bekenstein, JC Dahl, J Huang, WT Osowiecki, JK Swabeck, EM Chan, P Yang, AP Alivisatos. The Making and Breaking of Lead-Free Double Perovskite Nanocrystals of Cesium Silver-Bismuth Halide Compositions. Nano Lett. 2018 Jun 13;18(6):3502-3508. DOI: 10.1021/acs.nanolett.8b00560

5. Q Kong, W Lee, M Lai, CG Bischak, G Gao, AB Wong, T Lei, Y Yu, LW Wang, NS Ginsberg and P Yang. Phase transition induced p-n junction in single halide perovskite nanowire. Proceedings of National Academy of Sciences, Aug 2018, 201806515; DOI 10.1073/pnas.1806515115

6. NA Gibson, BA Koscher, AP Alivisatos and SR Leone. Excitation Intensity Dependence of Photoluminescence Blinking in CsPbBr3 Perovskite Nanocrystals. The Journal of Physical Chemistry C 2018 122 (22), 12106-12113. DOI: 10.1021/acs.jpcc.8b03206

7 IJ Porter, SK Cushing, LM Carneiro, AL, JC Ondry, JC Dahl, HT Chang, AP Alivisatos and SR Leone. Photoexcited Small Polaron Formation in Goethite (α-FeOOH) Nanorods Probed by Transient Extreme Ultraviolet Spectroscopy. The Journal of Physical Chemistry Letters 2018 9 (14), 4120-4124. DOI: 10.1021/acs.jpclett.8b01525

8. T Lei, M Lai, Q Kong, D Lu, W Lee, L Dou, V Wu, Y Yu, and P Yang. Electrical and Optical Tunability in All-Inorganic Halide Perovskite Alloy Nanowires. Nano Lett. 2018 18, 3538-3542. DOI: 10.1021/acs.nanolett.8b00603

9. P Kraus, M Zurch, SK Susching, DM Neumark and SR Leone. The ultrafast X-ray spectroscopic revolution in chemical dynamics. Nature Reviews Chemistry 2, 82-94 (2018. DOI:10.1038/s41570-018-0008-8

10. CZ Ning, L Dou and P Yang. Bandgap engineering in semiconductor alloy nanomaterials with widely tunable bandgaps and compositions. Nature Reviews Materials, 2, 1–15 (2017). DOI: 10.1038/natrevmats.2017.70

11. DL McCaffrey, SC Nguyen, SJ Cox, H Weller, AP Alivisatos, PL Geissler and RJ Saykally. Mechanism of ion adsorption to aqueous interfaces: Graphene/water vs. air/water. Proc Natl Acad Sci U S A. 2017 Dec 19;114(51):13369-13373. DOI:10.1073/pnas.1702760114

12. 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 JB, Yang P and Long JR. Electron delocalization and charge mobility as a function of reduction in a metal-organic framework. Nat Mater. 2018 Jul;17(7):625-632. DOI: 10.1038/s41563-018-0098-1

13. M Park, AJ Neukirch, SE Reyes-Lillo, M Lai, SR Ellis, D Dietze, JB Neaton, P Yang, S Tretiak, RA Mathies. Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite. Nat Commun. 2018 Jun 28;9(1):2525. DOI: 10.1038/s41467-018-04946-7

14. CG Bischak, AB Wong, E Lin, DT Limmer, P Yang and NS Ginsberg. Tunable Polaron Distortions Control the Extent of Halide Demixing in Lead Halide Perovskites. J Phys Chem Lett. 2018 Jul 19;9(14):3998-4005. DOI: 10.1021/acs.jpclett.8b01512

15. X.C. Chen, X. Jiang, and N.P. Balsara. Swelling of Nanodomains in Hydrated Block Copolymer Electrolyte Membranes. The Journal of Chemical Physics 2018, 149, 163325

16. D.R. Greer, M.A. Stolberg, J. Kundu, R.K. Spencer, T. Pascal, D. Prendergast, N.P. Balsara, R.N. Zuckermann Universal Relationship between Molecular Structure and Crystal Structure in Peptoid Polymers and Prevalence of the cis Backbone Conformation. Journal of the American Chemical Society, 2018, 140, 827

17. X. Jiang, D.R Greer, J. Kundu, C. Ophus, A.M. Minor, D. Prendergast, R.N. Zuckermann, N.P. Balsara, K.H. Downing. Imaging Unstained Synthetic Polymer Crystals and Defects on Atomic Length-scales using Cryogenic Electron Microscopy. Macromolecules (2018) DOI: 10.1021/acs.macromol.8b01508

18. G.K. Sethi, X. Jiang, R. Chakraborty, W.S. Loo, I. Villaluenga, N.P. Balsara. Anomalous Self-Assembly and Ion Transport in Nanostructured Organic–Inorganic Solid Electrolytes. ACS Macro Letters 2018, 7, 1056-1061

19. W.S. Loo, X. Jiang, J.A. Maslyn, H.J. Oh, C. Zhu, K.H. Downing, N.P. Balsara. Reentrant phase behavior and coexistence in asymmetric block copolymer electrolytes. Soft Matter, 2018, 14, 2789

20. S. Tafoya, S. Liu, J. Castillo, R. Atz, M. Morais, S. Grimes, P. Jardine, and C. Bustamante. Molecular switch-like regulation enables global subunit coordination in a viral ring ATPase. PNAS 115, 7961 (2018)

20. D.B. Litt, M.R. Jones, M. Henschel, Y. Wang, S. Yang, H.D. Ha, X. Zhang, and A.P. Alivisatos. Hybrid Lithographic and DNA-Directed Assembly of a Configurable Plasmonic Metamaterial that Exhibits Electromagnetically Induced Transparency. Nano Lett. 18, 859 (2018)

21. S. Tafoya and C. Bustamante. Molecular switch-like regulation in motor proteins. Philos T R Soc B 373, 1749 (2018)

22. Z. Pedramrazi, C. Chen, F. Zhao, T. Cao, G.D. Nguyen, A.A. Omrani, H.-Z. Tsai, R.R. Cloke, T. Marangoni, D.J. Rizzo, T. Joshi, C. Bronner, W.-W. Choi, F.R. Fischer, S.G. Louie, and M.F. Crommie. Concentration Dependence of Dopant Electronic Structure in Bottom-Up Graphene Nanoribbons. Nano Letters 18, 3550 (2018)

23. C. Bronner, R.A. Durr, D.J. Rizzo, Y.-L. Lee, T. Marangoni, A.M. Kalayjian, H. Rodriguez, W. Zhao, S.G. Louie, F.R. Fischer, and M.F. Crommie. Hierarchical On-Surface Synthesis of Graphene Nanoribbon Heterojunctions. ACS Nano 12, 2193 (2018)

24. N. Liu, G. Chistol, Y. Cui, and C. Bustamante. Mechanochemical coupling and bi-phasic force-velocity dependence in the ultra-fast ring ATPase SpoIIIE. eLife 7, e32354 (2018)

25. G. Dunn, K. Shen, J.N. Belling, T.N.H. Nguyen, E. Barkovich, K. Chism, M.M. Maharbiz, M.R. DeWeese, and A. Zettl. Selective Insulation of Carbon Nanotubes. Phys. Status Solidi B 254, 1700202 (2017)

26. S.M Gilbert, G. Dunn, A. Azizi, T. Pham, B. Shevitski, E. Dimitrov, S. Liu, S. Aloni, and A. Zettl. Fabrication of Subnanometer-Precision Nanopores in Hexagonal Boron Nitride. Scientific Reports 7, 15096 (2017)

27. S.M. Gilbert, S. Liu, G. Schumm, and A. Zettl. Nanopatterning Hexagonal boron Nitride with Helium Ion Milling: Towards Atomically-Thin, Nanostructured Insulators. MRS Advances 3, 327-331 (2018)

28. D.J. Rizzo, G. Veber, T. Cao, C. Bronner, T. Chen, F. Zhao, H. Rodriguez, S.G. Louie, M.F. Crommie, and F.R. Fischer. Topological Band Engineering of Graphene Nanoribbons. Nature 560, 204 (2018)

29. C. Chen, T. Joshi, H. Li, A.D. Chavez, Z. Pedramrazi, P.-N. Liu, H. Li, W.R. Dichtel, J.-L. Bredas, and M.F. Crommie. Local Electronic Structure of a Single-Layer Porphyrin-Containing Covalent Organic Framework. ACS Nano 12, 385 (2018)

30. R. Gabizon, A. Lee, H. Vahedian-Movahed, R. Ebright, and C. Bustamante. Pause sequences facilitate entry into long-lived paused states by reducing RNA polymerase transcription rates. Nature Communications 9, 2930 (2018)

31. M. Righini, A. Lee, C. Cañari-Chumpitaz, T. Lionberger, R. Gabizon, Y. Coello, I. Tinoco Jr, and C. Bustamante. Full molecular trajectories of RNA polymerase at single base-pair resolution. PNAS 115, 1286-1291 (2018)

32. A. Bustamante, J. Sotelo-Campos, D.G. Guerra, M. Floor, C.M.A. Wilson, C. Bustamante, and M. Baez. The energy cost of polypeptide knot formation and its folding consequences. Nat Commun 8 1581 (2017)

33. A. Ceballos, Zhanghui Chen, O. Schneider, C. Bordel, Lin-Wang Wang, F. Hellman. Effect of Strain and Thickness on the Transition Temperature of Epitaxial FeRh Thin-Film, Appl. Phys. Lett. 111, 172401 (2017); doi: 10.1063/1.4997901

34. J. Karel, J. Martinez, Y. N. Zhang, J. A. Gifford, J. Zhang, G. J. Zhao, D. R. Kim, B. C. Li, R. Q. Wu, T. Y. Chen, F. Hellman. Enhanced Spin Polarization of Amorphous Fe0.65Si0.35 Thin Films Revealed by Andreev Reflection Spectroscopy. Phys. Rev. Mater. 2, 06411 (2018)

35. Robert Streubel, Charles-Henri Lambert, Noah Kent, Peter Ercius, Alpha T. N'Diaye, Colin Ophus, Sayeef Salahuddin and Peter Fischer. Experimental Evidence of Chiral Ferrimagnetism in Amorphous GdCo Films. Advanced Materials 30, 1800199 (2018) doi: 10.1002/adma.201800199

36. Zhanghui Chen, Lin-Wang Wang. Material genome explorations and new phases of two-dimensional MoS2, WS2 and ReS2 monolayers. Chem. Mat. 30 6242 (2018) DOI: 10.1021/acs.chemmater.8b00525

37. Robert Streubel, Noah Kent, Scott Dhuey, Andreas Scholl, Steve Kevan and Peter Fischer. Spatial and Temporal Correlations of XY Macro Spins. Nano Letters (2018) doi: 10.1021/acs.nanolett.8b01789

38. Zuhuang Chen, Zhanghui Chen, ZQ Liu, ME Holtz, CJ Li, X Renshaw Wang, WM Lü, M Motapothula, LS Fan, JA Turcaud, LR Dedon, C Frederick, RJ Xu, R Gao, AT N’Diaye, E Arenholz, JA Mundy, T Venkatesan, DA Muller, L. W. Wang, Jian Liu, LW Martin. Electron Accumulation and Emergent Magnetism in LaMnO3/SrTiO3 Heterostructures. Physical Review Letters 119, 156801, 2017

39. Yang Yang, R. B. Wilson, Jon Gorchon, Charles-Henri Lambert, Sayeef Salahuddin, Jeffrey Bokor. Ultrafast Magnetization Reversal by Picosecond Electrical Pulses 1. Science Advances, vol. 3, p. E1603117, 2017

40. R. Lo Conte, Z. Xiao, C. Chen, C. V. Stan, J. Gorchon, A. El-Ghazaly, M. E. Nowakowski, H. Sohn, A. Pattabi, A. Scholl, N. Tamura, A. Sepulveda, G. P. Carman, R. N. Candler, and Jeffrey Bokor. Influence of Nonuniform Micron-Scale Strain Distributions on the Electrical Reorientation of Magnetic Microstructures in a Composite Multiferroic Heterostructure. Nano Lett, vol. 18, pp. 1952-1961, Mar 14 2018

41. Z. H. Chen, Z. Chen, C. Y. Kuo, Y. Tang, L. R. Dedon, Q. Li, L. Zhang, C. Klewe, Y-L. Huang, B. Prasad, A. Farhan, M. Yang, J.D. Clarkson, S. Das, S. Manipatruni, A. Tanaka, P Shafer, E. Arenholz, A. Scholl, Y. H. Chu, Z.Q. Qiu, Z. W. Hu, L. H. Tjeng, R. Ramesh, L. W. Wang,L. W. Martin. Complex strain evolution of polar and magnetic order in multiferroic BiFeO3 thin films. Nat. Commun. 9, 3764 (2018)

42. D.-H. Lien, M. Amani, S.B. Desai, G.H. Ahn, K. Han, J.-H. He, J. W. Ager, M. C. Wu, A. Javey, Large-Area and Bright Pulsed Electroluminescence in Monolayer Semiconductors. Nat. Commun. 2018, 9, 1229

43. J Suh, T L Tan, W Zhao, J Park, D-Y Lin, T-E Park, J Kim, C Jin, N Saigal, S Ghosh, Z M Wong, Y Chen, F Wang, W Walukiewicz, G Eda, Junqiao Wu. Restructuring stacking order and electronic bands of MoS2 by delocalized dopant wavefunction. Nature Commun., 9, 199 (2018)

44. X. Xu, S. Shukla, Y. Liu, B. Yue, J. Bullock, L. Su, Y. Li, A. Javey, X. Fang, J. W. Ager, Solution-Processed Transparent Self-Powered P-CuS-ZnS/n-ZnO UV Photodiode. Phys. status solidi - Rapid Res. Lett. 2018, 12, 1700381

45. C. A. Francis, M. Jaquez,J. F. Sanchez-Royo, S. K. V. Farahani, C. F. McConville, J. Beeman, Min Ting, Kin Man Yu,O. D. Dubon and W.Walukiewicz. Effects of Ni d-levels on the electronic band structure of NixCd1-xO semiconducting alloys. Journal of Applied Physics 122, 185703 (2017)

46. Y. Lee, Chao Ping Liu, Kin Man Yu and W. Walukiewicz. Engineering Electronic Band Structure of Indium‐doped Cd1−xMgxO Alloys for Solar Power Conversion Applications. Energy Technol. 2018, 6, 122 – 126

47. J.J Fonseca, M.K. Horton, K. Tom, J. Yao, W. Walukiewicz, O.D. Dubon, Structure-Property Relationship of Low-Dimensional Layered GaSexTe1-x Alloys. Chemistry of Materials 2018, 30, 4226–4232

48. Inyushkin, A. V.; Taldenkov, A. N.; Ager, J. W.; Haller, E. E.; Riemann, H.; Abrosimov, N. V.; Pohl, H.-J.; Becker, P. Ultrahigh Thermal Conductivity of Isotopically Enriched Silicon. J. Appl. Phys. 2018, 123 (9), 95112

50. Maurya, S. K.; Liu, Y.; Xu, X.; Woods-Robinson, R.; Das, C.; Ager, J. W.; Balasubramaniam, K. R. High Figure-of-Merit P -Type Transparent Conductor, Cu Alloyed ZnS via Radio Frequency Magnetron Sputtering. J. Phys. D. Appl. Phys. 2017, 50 (50), 505107

51. Shukla, S.;Ager, J. W.; Xiong, Q.; Sritharan, T. Scientific and Technological Assessment of Iron Pyrite for Use in Solar Devices. Energy Technol. 2018, 6, 8–20

52. Amani, M.; Regan, E.; Bullock, J.; Ahn, G. H.; Javey, A. Mid-Wave Infrared Photoconductors Based on Black Phosphorous-Arsenic Alloys. ACS Nano 2017, 11 (11), 11724-11731

53. Bullock, J.; Wan, Y.; Xu, Z.; Essig, S.; Hettick, M.; Wang, H.; Ji, W.; Boccard, M.; Cuevas, A.; Ballif, C.; Javey, A. Stable Dopant-Free Asymmetric Heterocontact Silicon Solar Cells with Efficiencies Above 20%. ACS Energy Lett. 2018, 3, 508-513

54. Conti, G.; Nemšák, S.; Kuo, C.-T.; Gehlmann, M.; Conlon, C.; Keqi, A.; Rattanachata, A.; Karslıoğlu, O.; Mueller, J.; Sethian, K.; Bluhm, H.; Rault, J. E.; Rueff, J. P.; Fang, H.; Javey, A.; Fadley, C. S. Characterization of Free Standing InAs Quantum Membranes by Standing Wave Hard X-ray Photoemission Spectroscopy. APL Mater. 2018, 6, 058101

55. Tai, L.-C.; Gao, W.; Chao, M.; Bariya, M.; Ngo, Q. P.; Shahpar, Z.; Nyein, H. Y. Y.; Park, H.; Sun, J.; Jung, Y.; Wu, E.; Fahad, H. M.; Lien, D.-H.; Ota, H.; Cho. G.; Javey, A. Methylxanthine Drug Monitoring with Wearable Sweat Sensors. Adv. Mater. 2018, 30, 1707442

56. Wan, Y.; Bullock, J.; Hettick, M.; Xu, Z.; Yan, D.; Peng, J.; Javey, A.; Cuevas, A. Zirconium Oxide Surface Passivation of Crystalline Silicon. Appl. Phys. Lett. 2018, 112, 201604

57. Sutter-Fella, C. M.; Ngo, Q. P.; Cefarin, N.; Gardner, K. L.; Tamura, N.; Stan, C. V.; Drisdell, W. S.; Javey, A.; Toma, F. M.; Sharp, I. D. Cation-Dependent Light-Induced Halide Demixing in Hybrid Organic−Inorganic Perovskites. Nano Lett. 2018, 18, 3473−3480

58. Nyein, H. Y. Y.; Tai, L.-C.; Ngo, Q. P.; Chao, M.; Zhang, G.; Gao, W.; Bariya, M.; Bullock, J.; Kim, H.; Fahad, H. M.; Javey, A. A Wearable Microfluidic Sending Patch for Dynamic Sweat Secretion Analysis. ACS Sens. 2018, 3, 944-952

59. Amani, M.; Tan, C.; Zhang, G.; Zhao, C.; Bullock, J.; Song, X.; Kim, H.; Shrestha, V. R.; Gao, Y.; Crozier, K. B.; Scott, M.; Javey, A. Solution-Synthesized High-Mobility Tellurium Nanoflakes for Short-Wave Infrared Photodetectors. ACS Nano 2018, 12 (7), 7253-7263

60. Bariya, M.; Shahpar, Z.; Park, H.; Sun, J.; Jung, Y.; Gao, W.; Nyein, H. Y. Y.; Liaw, T. S.; Tai, L.-C.; Ngo, Q. P.; Chao, M.; Zhao, Y.; Hettick, M.; Cho, G.; Javey, A. Roll-to-Roll Gravure Printed Electrochemical Sensors for Wearable and Medical Devices. ACS Nano 2018, 12, 6978-6987

61. Ali, H.; Koul, S.; Gregory, G.; Bullock, J.; Javey, A.; Kushima, A.; Davis, K. O. Thermal Stability of Hole-Selective Tungsten Oxide: In Situ Transmission Electron Microscopy Study. Sci. Rep. 2018, 8, 12651

62. Xi Wang, Kaichen Dong, Hwan Sung Choe, Huili Liu, Shuai Lou, Hans A. Bechtel, Kyle B. Tom, Zheng You, Junqiao Wu, Jie Yao. Multifunctional micro-electro-opto-mechanical platforms with giant modulation depth. Nano Lett., 18, 1637 (2018)

63. Lum, Y.; Ager, J. W. Sequential Catalysis Controls Selectivity in Electrochemical CO2 Reduction on Cu. Energy Environ. Sci., 2018, 11, 2935-2944. DOI: 10.1039/C8EE01501E

64. Zizhuo Liu, Berker Banar, Serkan Butun, Hasan Kocer, Kevin Wang, Jacob Scheuer, Junqiao Wu, and Koray Aydin, Dynamic infrared thin-film absorbers with tunable absorption level based on VO2 phase transition, Optical Materials Express, 8, 2151 (2018)

65. Kaichen Dong, Sukjoon Hong, Yang Deng, He Ma, Jiachen Li, Xi Wang, Junyeob Yeo, Letian Wang, Shuai Lou, Kyle B. Tom, Kai Liu, Zheng You, Yang Wei, Costas P. Grigoropoulos, Jie Yao, Junqiao Wu. A lithography-free and field-programmable photonic meta-canvas. Adv. Mater., 30, 1703878 (2018)

66. Keqi, A.; Gehlmann, M.; Conti, G.; Nemsak, S.; Rattanachata, A.; Minar, J.; Plucinski, L.; Rault, J.E.; Rueff, J.P.; Scarpulla, M.; Hategan, M.; Palsson, G.K.; Conlon, C.; Eiteneer, D.; Saw, A.Y.; Gray, A.X.; Kobayashi, K.; Ueda, S.; Dubon, O.D.; Schneider, C.M.; Fadley, C.S. Electronic structure of the dilute magnetic semiconductor Ga1-xMnxP from hard x-ray photoelectron spectroscopy and angle-resolved photoemission. Physical Review B 2018, 98, 155149

67. Joel E. Moore. A perspective on quantum integrability in many-body-localized and Yang-Baxter systems. Philosophical Transactions of the Royal Society of London A: Mathematical, Physical and Engineering Sciences, 375, 2108 (2017)

68. G. Coslovich, A. F. Kemper, S. Behl, B. Huber, H. A. Bechtel, T. Sasagawa, M. C. Martin, A. Lanzara, R. A. Kaindl. Ultrafast Dynamics of Vibrational Symmetry Breaking in a Charge-ordered Nickelate. Science Advances 3, 1600735 (2017)

69. T. L. Miller, W. Zhang, J. Ma, H. Eisaki, J. E. Moore, A. Lanzara. Interplay of superconductivity and bosonic coupling in the peak dip hump structure of Bi2Sr2CaCu2O8+d. Phys. Rev. B 97, 134517 (2018)

70. G. Coslovich, B. Huber, S. Behl, A. F. Kemper, T. Sasagawa, H. A. Bechtel, M. C. Martin, and R. A. Kaindl. Ultrafast multi-terahertz probes of symmetry breaking in a stripe-phase correlated oxide. Proc. SPIE 10756, 107560K (2018)

71. H. Zhu, J. Yi, M.-Y. Li, J. Xiao, L. Zhang, C.-W. Yang, R. A. Kaindl, L.-J. Li, Y. Wang, X. Zhang. Observation of chiral phonons. Science 359, 579 (2018)

72. S. F. Weber, R. Chen, Q. Yan, J. B. Neaton. Prediction of TiRhAs as a Dirac nodal line semimetal via first-principles calculations. Phys. Rev. B 96, 235145 (2017)

73. M. Weng, S. Li, J. Zheng, F. Wang, L. W. Wang. Wannier Koopmans method calculations of 2D material band gaps. J. Phys. Chem. Lett. 9, 281 (2017)

74. Z. Li, T. Cao, and S. G. Louie. Two-dimensional ferromagnetism in few-layer van der Waals crystals: Renormalized spin-wave theory and calculations. J. of Mag. and Mag. Mat. 463, 28-35 (2018)

75. D-H Lee. Routes to High Temperature Superconductivity: A Lesson From FeSe/SrTiO3. Annual Rev. of Cond. Matt. Phys. 9, 261 (2018)

75. S. Li, M. Weng, J. Jie, J. Zheng, F. Pan, L. W. Wang. Wannier-Koopmans method calculations of organic molecule crystal band gaps. EPL 123, 37002 (2018)

76. C. S. Ong, S. Coh, M. L. Cohen, and S. G. Louie. Real-space study of the optical absorption in alternative phases of silicon. Phys. Rev. Mat. 1, 075408 (2017)

77. Z. Q. Fan, X. W. Jiang, J. Luo, L. Y. Jiao, R. Huang, S. S. Li, L. W. Wang. In-plane Schottky-Barrier FETs based on 1T/2H Heterojunctions of Transition-Metal Dichalcogenides. Phys. Rev. B 96, 165402 (2017)

78. Y. Sakai, J. R. Chelikowsky, M. L. Cohen. Simulating the effect of boron doping in superconducting carbon. Phys. Rev. B 97, 054501 (2018)

79. Y. Li, T. M. Wang, M. Wu, T. Cao, Y. W. Chen, R. Sankar, R. K. Ulaganahan, F. C. Chou, C. Wetzel, C. Y. Xu, S. G. Louie, and S. F. Shi. Ultrasensitive tenability of the direct bandgap of 2D InSe flakes via strain engineering. 2D Mat. 5, 021002 (2018)

80. K. Frohna, T. Deshpande, J. Harter, W. Peng, B. A. Barker, J. B. Neaton, S. G. Louie, O. M. Bakr, D. Hsieh, and M. Bernardi. Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals. Nat. Comm. 9, 1829 (2018)

81. Y. Sakai, J. R. Chelikowsky, M. L. Cohen. Magnetism in amorphous carbon. Phys. Rev. Mat. 2, 074403 (2018)

82. Y. Zang, A. Pinkard, Z.-F. Liu, J. B. Neaton, M. L. Steigerwald, X. Roy, L. Venkataraman. Electronically Transparent Au–N Bonds for Molecular Junctions. J. Am. Chem. Soc. 139, 14845 (2017)

83. L. Shi, K. Xu, L. W. Wang. Reply to: Comment on ‘Comparative study of ab initio nonradiative recombination rate calculations under different formalism’. Phys. Rev. B 97, 077302 (2018)

84. S. Banerjee, X. Jiang, L. W. Wang. Designing porous-crystalline structure of beta-Ga2O3: a potential approach to tune its opto-electronic properties. Phys. Chem. Chem. Phys. 20, 9471 (2018)

85. X. Yin, Y. Zang, L. Zhu, J. Z. Low, Z.-F. Liu, J. Cui, J. B. Neaton, L. Venkataraman, L. M. Campos. A reversible single-molecule switch based on activated antiaromaticity. Sci. Adv. 3, eaao2615 (2017)

86. M. L. Aubrey, B. M. Wiers, S. C. Andrews, T. Sakurai, S. E. Reyes-Lillo, S. M. Hamed, C.-J. Yu, L. E. Darago, J. A. Mason, J.-O. Baeg, F. Grandjean, G. J. Long, S. Seki, J. B. Neaton, P. Yang, and J. R. Long. Electron delocalization and charge mobility as a function of reduction in a metal–organic framework. Nat. Mater. 17, 625 (2018)

87. R. Kealhofer, S. Jang, S. M. Griffin, C. John, K. A. Benavides, S. Doyle, T. Helm, P. J. W. Moll, J. B. Neaton, J. Y. Chan, J. D. Denlinger, J. G. Analytis. Observation of a two-dimensional Fermi surface and Dirac dispersion in YbMnSb2. Phys. Rev. B 97, 045109 (2018)

88. N. L. Nair, P. T. Dumitrescu, S. Channa, S. M. Griffin, J. B. Neaton, A. C. Potter, J. G. Analytis. Thermodynamic signature of Dirac electrons across a possible topological transition in ZrTe5. Phys. Rev. B 97, 041111(R) (2018)

89. Y. Hochberg, Y. Kahn, M. Lisanti, K. M. Zurek, A. G. Grushin, R. Ilan, S. M. Griffin, Z.-F. Liu, S. F. Weber, J. B. Neaton. Detection of sub-MeV dark matter with three-dimensional Dirac materials. Phys. Rev. D 97, 015004 (2018)

90. J. M. Brisendine, S. Refaely-Abramson, Z.-F. Liu, J. Cui, F. Ng, J. B. Neaton, R. L. Koder, and L. Venkataraman. Probing Charge Transport through Peptide Bonds. J. Phys. Chem. Lett. 9, 763 (2018)

91. B. A. Connor, L. Leppert, M. D. Smith, J. B. Neaton, H. I. Karunadasa. Layered Halide Double Perovskites: Dimensional Reduction of Cs2AgBiBr6. J. Am. Chem. Soc., 140, 5235 (2018)

92. Jonathan Cookmeyer, Joel E. Moore. Spin Wave Analysis of Low-Temperature Thermal Hall Effect in the Candidate Kitaev Spin Liquid α-RuCl3. Phys Rev B 98 060412 (R) (2018)

93. B.A. Frandsen, K.M. Taddei, M. Yi, A. Frano, Z. Guguchia, Y. Rong, Q. Si, D.E. Bugaris, R. Stadel, R. Osborn, S. Rosenkranz, O. Chmaissem, and R.J. Birgeneau. Local orthorhombicity in the magnetic C4 phase of the hole-doped iron-arsenide superconductor Sr1-xNaxFe2As2. Physical Review Letters 119, 18, 187001 (2017)

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