2020 Publications

1260. Balancing charge transfer and Frenkel exciton coupling leads to excimer formation in molecular dimers: implications for singlet fission, Bae, Youn Jue; Shimizu, Daiki; Schultz, Jonathan D.; Kang, Gyeongwon; Zhou, Jiawang; Schatz, George C.; Osuka, Atsuhiro; Wasielewski, Michael R. J. Phys. Chem. A, 124, 8478-8487 (2020) DOI:10.1021/acs.jpca.0c07646

1259. Understanding the chemical contribution to the enhancement mechanism in SERS: Connection with Hammett parameters, Dhara J. Trivedi, Brendan Barrow, George C. Schatz, J. Chem. Phys. 153, 124706 (2020). DOI:10.1063/5.0023359

1258. Two-photon excited deep-red and near-infrared emissive organic co-crystals, Wang, Yu; Wu, Huang; Li, Penghao; Chen, Su; Jones, Leighton O.; Mosquera, Martin A.; Zhang, Long; Cai, Kang; Chen, Hongliang; Chen, Xiao-Yang; Stern, Charlotte L.; Wasielewski, Michael R.; Ratner, Mark A.; Schatz, George C.; Stoddart, J. Fraser, Nature Comm. 11, 4633 (2020). DOI:10.1038/s41467-020-18431-7

1257. Ring-in-ring(s) complexes exhibiting tunable multicolor photoluminescence, Wu, Huang; Wang, Yu; Jones, Leighton O.; Liu, Wenqi; Song, Bo; Cui, Yunpeng; Cai, Kang; Zhang, Long; Shen, Dengke; Chen, Xiao-Yang; Jiao, Yang; Stern, Charlotte L.; Li, Xiaopeng; Schatz, George C.; Stoddart, J. Fraser JACS, 142, 16849-16860 (2020). DOI:10.1021/jacs.0c07745

1256. Nanopipette-based electrochemical SERS platforms: using electrodeposition to produce versatile and adaptable plasmonic substrates, Vitor Brasiliense, Ji Eun Park, Zhu Chen, Richard P. Van Duyne, George C. Schatz, J. Raman Spectroscopy, 339-347 (2021). DOI:10.1002/jrs.5974

1255.Wavelength and polarization dependence of second-harmonic responses from gold nanocrscent arrays, Hiroaki Maekawa, Elena Drobnyh, Cady A. Lancaster, Nicolas Large, George C. Schatz, Jennifer S. Shumaker-Parry, Maxim Sukharev, Nien-hui Ge, J. Phys. Chem. C 124, 20424-20435 (2020). DOI:10.1021/acs.jpcc.0c05548

1254. Thermodynamics and mechanism of a photocatalyzed stereoselective [2+2] cycloaddition on a CdSe quantum dot, Leighton O. Jones, Martin A. Mosquera, Yishu Jiang, Emily A. Weiss, George C. Schatz, Mark A. Ratner, JACS 142, 15488-15495 (2020). DOI:10.1021/jacs.0c07130

1253. Enhancement and suppression of resonance energy transfer near metal nanoparticles, Jeong, Yeonjun; Schatz, George C., J. Phys. Chem. C, 124, 20589-20597 (2020). DOI:10.1021/acs.jpcc.0c05937

1252. High-efficiency gold recovery using cucurbit[6]uril, Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser, ACS Appl. Mat. Interfaces, 12, 38768-38777 (2020). DOI:10.1021/acsami.0c09673

1251. Pressure-induced optical transitions in metal nanoclusters, Li, Qi; Mosquera, Martin A.; Jones, Leighton O.; Parakh, Abhinav; Chai, Jinsong; Jin, Rongchao; Schatz, George C.; Gu, X. Wendy, ACS Nano, 14, 11888-11896 (2020) DOI:10.1021/acsnano.0c04813

1250. Ion coordination and chelation in a glycolated polymer semiconductor: molecular dynamics and x-ray fluorescence study, Matta, Micaela; Wu, Ruiheng; Paulsen, Bryan D.; Petty, Anthony J.; Sheelamanthula, Rajendar; McCulloch, Iain; Schatz, George C.; Rivnay, Jonathan, Chem. Mat. 32, 7301-7308 (2020) DOI:10.1021/acs.chemmater.0c01984

1249. Atom vacancies and electronic transmission Stark effects in boron nanoflake junctions, Jones, Leighton O.; Mosquera, Martin A.; Schatz, George C.; Marks, Tobin J.; Ratner, Mark A., J. Mat. Chem. C, 8, 15208-18 (2020) DOI:10.1039/d0tc03116j

1248. Active plasmonics and active chiral plasmonics through orientation-dependent multipolar interactions, Stevenson, Peter R.; Du, Matthew; Cherqui, Charles; Bourgeois, Marc R.; Rodriguez, Kate; Neff, Jacob R.; Abreu, Endora; Meiler, Ilse M.; Tamma, Venkata Ananth; Apkarian, Vartkess Ara; Schatz, George C.; Yuen-Zhou, Joel; Shumaker-Parry, Jennifer S., ACS Nano 14. 11518-11532 (2020) DOI:10.1021/acsnano.0c03971

1247. Crystallography, morphology, electronic structure, and transport in non-fullerene/non-indacenodithienothiophene polymer: Y6 solar cells, Zhu, Weigang; Spencer, Austin P.; Mukherjee, Subhrangsu; Alzola, Joaquin M.; Sangwan, Vinod K.; Amsterdam, Samuel H.; Swick, Steven M.; Jones, Leighton O.; Heiber, Michael C.; Herzing, Andrew A.; Li, Guoping; Stern, Charlotte L.; DeLongchamp, Dean M.; Kohlstedt, Kevin L.; Hersam, Mark C.; Schatz, George C.; Wasielewski, Michael R.; Chen, Lin X.; Facchetti, Antonio; Marks, Tobin J., JACS 142, 14532-14547 (2020) DOI:10.1021/jacs.0c05560

1246. Vibrational probe of aqueous electrolytes: the field is not enough, Lewis, Nicholas H. C.; Iscen, Aysenur; Felts, Alanna; Dereka, Bogdan; Schatz, George C.; Tokmakoff, Andrei, J. Phys. Chem. B, 124, 7013-7026 (2020). DOI:10.1021/acs.jpcb.0c05510

1245. Mechanistic insights into photocatalyzed H2 dissociation on Au clusters, Wu, Qisheng; Zhou, Linsen; Schatz, George C.; Zhang, Yu; Guo, Hua, JACS 142, 13090-13101 (2020) DOI:10.1021/jacs.0c04491

1244. Plasmon-driven chemistry in ferri-/ferrocyanide gold nanoparticle oligomers: a SERS study, Qi, Yue; Brasiliense, Vitor; Ueltschi, Tyler W.; Park, Ji Eun; Wasielewski, Michael R.; Schatz, George C.; Van Duyne, Richard P., JACS, 142, 13120-13129 (2020) DOI:10.1021/jacs.0c05031

1243. Photophysical implications of ring fusion, linker length, and twisting angle in a series of perylenediimide-thienoacene dimers, Leonard, Ariel A.; Mosquera, Martin A.; Jones, Leighton O.; Cai, Zhengxu; Fauvell, Thomas J.; Kirschner, Matthew S.; Gosztola, David J.; Schatz, George C.; Schaller, Richard D.; Yu, Luping; Chen, Lin X., Chem. Sci. 11, 7133-7143 (2020) DOI:10.1039/d0sc02862b

1242. Supramolecular-covalent hybrid polymers for light-activated mechanical actuation, Chuang Li, Aysenur Iscen, Hiroaki Sai, Kohei Sato, Nicholas A. Sather, Stacey M. Chin, Zaida Alvarez, Liam C. Palmer, George C. Schatz, Samuel I. Stupp, Nature Materials, 19, 900-909 (2020) DOI:10.1038/s41563-020-0707-7

1241. Domain separated density functional theory for reaction energy barriers and optical excitations, Martin A. Mosquera, Leighton O. Jones, Carlos H. Borca, Mark A. Ratner, George C. Schatz, J. Phys. Chem. A, 124, 5954-5962 (2020) DOI:10.1021/acs.jpca.0c03596

1240. Room temperature weak-to-strong coupling and the emergence of collective emission from quantum dots coupled to plasmonic arrays, Ravindra Kumar Yadav, Marc. R. Bourgeois, Charles Cherqui, Xitlali G. Juarez, Weijia Wang, Teri W. Odom, George C. Schatz, Jaydeep Kumar Basu, ACS Nano, 14, 7347-7357 (2020). DOI:10.1021/acsnano.0c02785

1239. Efficient modeling of organic chromophores for entangled two-photon absorption, Gyeongwon Kang, Kobra Nasiri Avanaki, Martin A. Mosquera, Ryan K. Burdick, Juan P. Villabona-Monsalve, Theodore Goodson, George C. Schatz, JACS 142, 10446-10458 (2020) DOI:10.1021/jacs.0c02808

1238. Fluorinating p-extended molecular acceptors yields highly connected crystal structures and low reorganization energies for efficient solar cells, Steven M. Swick, Joaquin M. Alzola, Vinod K. Sangwan, Samuel H. Amsterdam, Weigang Zhu, Leighton O. Jones, Natalia Powers-Riggs, Antonio Facchetti, Kevin L. Kohlstedt, George C. Schatz, Mark C. Hersam, Michael R. Wasielewski, Tobin J. Marks, Adv. Energy Mat. 10, 2000635 (2020). DOI:10.1002/aenm.202000635

1237. Light-driven expansion of spiropyran hydrogels, Chuang Li, Aysenur Iscen, Liam C. Palmer, George C. Schatz, Samuel I. Stupp, JACS, 142, 8447-8452 (2020). DOI:10.1021/jacs.0c02201

1236. NWChem: Past, present, and future, E. Apra, E. J. Bylaska, W. A. de Jong, N. Govind,K. Kowalski, T. P. Straatsma, M. Valiev, H. J. J.van Dam, Y. Alexeev, J. Anchell, V. Anisimov, F. W. Aquino, R. Atta-Fynn, J. Autschbach,N. P. Bauman, J. C. Becca, D. E. Bernholdt, K. Bhaskaran-Nair, S. Bogatko, P. Borowski, J. Boschen, J. Brabec, A. Bruner, E. Cauet, Y. Chen, G. N. Chuev, C. J. Cramer, J. Daily, M. J. O. Deegan, T. H. Dunning Jr., M. Dupuis, K. G. Dyall, G. I. Fann, S. A. Fischer, A. Fonari, H. Fruchtl, L. Gagliardi, J. Garza, N. Gawande, S. Ghosh, K. Glaesemann, A. W. Gotz, J. Hammond, V. Helms, E. D. Hermes, K. Hirao, S. Hirata, M. Jacquelin, L. Jensen, B. G. Johnson, H. Jonsson, R. A. Kendall, M. Klemm, R. Kobayashi, V. Konkov, S. Krishnamoorthy, M. Krishnan, Z. Lin, R. D. Lins, R. J. Littlefield, A. J. Logsdail, K. Lopata, W. Ma, A. V. Marenich, J. Martin del Campo, D. Mejia-Rodriguez, J. E. Moore, J. M. Mullin, T. Nakajima, D. R. Nascimento, J. A. Nichols, P. J. Nichols, J. Nieplocha, A. Otero de la Roza, B. Palmer, A. Panyala, T. Pirojsirikul, B. Peng, R. Peverati, J. Pittner, L. Pollack, R. M. Richard, P. Sadayappan, G. C. Schatz, W.A. Shelton, D. W. Silverstein, D. M. A. Smith, T. A. Soares, D. Song, M. Swart, H. L. Taylor, G. S. Thomas, V. Tipparaju, D. G. Truhlar, K. Tsemekhman, T. Van Voorhis, A. Vazquez-Mayagoitia, P. Verma, O. Villa, A. Vishnu, K. D. Vogiatzis, D. Wang, J. H. Weare, M. J. Williamson, T. L. Windus, K. Wolinski, A. T. Wong, Q. Wu, C. Yang, Q. Yu, M. Zacharias, Z. Zhang, Y. Zhao, and R. J. Harrison J. Chem. Phys. 152, 184102 (2020); https://doi.org/10.1063/5.0004997

1235. Virtual issue in honor of Prof. Richard Van Duyne (1945-2019), Christy L. Haynes, George C. Schatz, Paul S. Weiss, Anal. Chem. asap (2020). DOI:10.1021/acs.analchem.0c00728

1234. Lasing from finite plasmonic nanoparticle lattices, Danqing Wang, Marc R. Bourgeois, Jun Guan, Ahmad K. Fumani, George C. Schatz, Teri W. Odom, ACS Photonics, 7, 630-636 (2020). DOI:10.1021/acsphotonics.0c00231

1233. Quantum embedding for material chemistry based on domain separation and open sybsystems, Martin A. Mosquera, Leighton O. Jones, Mark A. Ratner, George C. Schatz, Int. J. Quantum Chem. asap (2020). DOI:10.1002/qua.26184

1232. Quantum dot-plasmon lasing with controlled polarization patterns, Jun Guan, Laxmi Kishore, Ran Li, Danqing Wang, Golam Bappi, Weijia Wang, Nicolas E. Watkins, Marc R. Bourgeois, Larissa Levina, Fengjia Fan, Sjoerd Hoodland, Oleksandr Voznyy, Joao Martins de Pina, Richard D. Schaller, George C. Schatz, Edward H. Sargent, Teri W. Odom, ACS Nano 14, 3426-3433 (2020). DOI:10.1021/acsnano.9b09466

1231. Engineering directionality in quantum dot shell lasing using plasmonic lattices, Jun Guan, Laxmi Kishore, Ran Li, Danqing Wang, Golam Bappi, Nicolas E. Watkins, Marc R. Bourgeois, Larissa Levina, Fengjia Fan, Sjoerd Hoodland, Oleksandr Voznyy, Joao Martins de Pina, Richard D. Schaller, George C. Schatz, Edward H. Sargent, Teri W. Odom, Nano Lett, 20, 1468-1474 (2020) DOI:10.1021/acs.nanolett.9b05342

1230. Embedding methods for quantum chemistry: applications from materials to life sciences, Leighton O. Jones, Martin A. Mosquera, George C. Schatz, Mark A. Ratner, J. Am. Chem. Soc. 142, 3281-3295 (2020). DOI:10.1021/jacs.9b10780

1229. Orbital control and coherent charge transport in transition metal platinum(II)-Platinum(II) lantern complexes in molecular junctions, Leighton O. Jones, Martin A. Mosquera, Mark A. Ratner, George C. Schatz, J. Phys. Chem. C, 124, 3233-3241 (2020). DOI:10.1021/acs.jpcc.9b10093

1228. Light-responsive colloidal crystals engineered with DNA, Jinghan Zhu, Haixin Lin, Youngeun Kim, Muwen Yang, Kacper Skakuj, Jingshan S. Du, Byeongdu Lee, George C. Schatz, Richard P. Van Duyne, Chad A. Mirkin, Adv. Materials, 124, 3260-3269 (2020). DOI:10.1002/adma.201906600

1227. Thermodynamic determination of bimetallic particle geometry: suitability of poorly miscible alloys for surface enhanced Raman, Chelsea M. Mueller, Raghavendra R. Murthy, Marc R. Bourgeois, George C. Schatz, J. Phys. Chem. C 124, 3287-96 (2020). DOI:10.1021/acs.jpcc.9b10889

1226. Control of charge carriers and band structure in 2D monolayer molybdenum disulfide via covalent functionalization, Leighton O. Jones, Martin A. Mosquera, Mark A. Ratner, George C. Schatz, Appl. Mat. Interfaces, 12, 4, 4607-4615 (2020) DOI:10.1021/acsami.9b19639

1225. Multivalent cation-induced actuation of DNA-mediated colloidal superlattices, Devleena Samanta, Aysenur Iscen, Christine R. Laramy, Sasha B. Ebrahimi, Katherine E. Bujold, George C. Schatz, Chad A. Mirkin, JACS, 141 19973-19977 (2019) DOI:10.1021/jacs.9b09900 (Cover Art 142, January 14, 2020)