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"text": "<!-- image -->\n\n## Nanocrystal Assemblies: Current Advances and Open Problems\n\n\u0303\n\nCarlos L. Bassani, Greg van Anders, Uri Banin, Dmitry Baranov, Qian Chen, Marjolein Dijkstra, Michael S. Dimitriyev, Efi Efrati, Jordi Faraudo, Oleg Gang, Nicola Gaston, Ramin Golestanian, G. Ivan Guerrero-Garcia, Michael Gruenwald, Amir Haji-Akbari, Maria Ib \u00e1 nez, Matthias Karg, Tobias Kraus, Byeongdu Lee, Reid C. Van Lehn, Robert J. Macfarlane, Bortolo M. Mognetti, Arash Nikoubashman, Saeed Osat, Oleg V. Prezhdo, Grant M. Rotskoff, Leonor Saiz, An-Chang Shi, Sara Skrabalak, Ivan I. Smalyukh, Mario Tagliazucchi, Dmitri V. Talapin, Alexei V. Tkachenko, Sergei Tretiak, David Vaknin, Asaph Widmer-Cooper, Gerard C. L. Wong, Xingchen Ye, Shan Zhou, Eran Rabani, Michael Engel, and Alex Travesset *\n\n<!-- image -->\n\nCite This: https://doi.org/10.1021/acsnano.3c10201\n\nRead Online\n\n<!-- image -->\n\n## ACCESS\n\nMetrics & More\n\nArticle Recommendations\n\n<!-- image -->\n\nABSTRACT: We explore the potential of nanocrystals (a term used equivalently to nanoparticles) as building blocks for nanomaterials, and the current advances and open challenges for fundamental science developments and applications. Nanocrystal assemblies are inherently multiscale, and the generation of revolutionary material properties requires a precise understanding of the relationship between structure and function, the former being determined by classical effects and the latter often by quantum effects. With an emphasis on theory and computation, we discuss challenges that hamper current assembly strategies and to what extent nanocrystal assemblies represent thermodynamic equilibrium or kinetically trapped metastable states. We also examine dynamic effects and\n\n<!-- image -->\n\noptimization of assembly protocols. Finally, we discuss promising material functions and examples of their realization with nanocrystal assemblies.\n\nKEYWORDS: nanocrystal, nanoparticle, quantum dots, nanocrystal assembly, colloidal crystal, superlattice, self-assembly, assembly protocols, structure prediction, material properties\n\n## 1. INTRODUCTION\n\nNanocrystals (NCs), a term used herein interchangeably with nanoparticles, provide building blocks for nanomaterials. 1 -4 NC superstructures are a form of matter possible by the progress in synthesizing NCs with different shapes, sizes, and chemical compositions with monodispersed distributions, 5,6 allowing tuning superlattice parameters from tens to hundreds of nanometers. This permits creating materials with properties and functionalities believed unattainable on the basis of the crystallization of atoms into lattices at the \u00c5-scale. An important challenge is to assemble materials that perform many functions simultaneously and undergo structural transformations on demand. Robust assembly that is precise and configurable or programmable is particularly desirable.\n\n<!-- image -->\n\nThe assembly of NCs can be rationalized by drawing an analogy to atoms, their constituents, interactions, and the emergence of structures, as depicted in Figure 1. That is, NCs can be regarded as big atoms, 7 or programmable atom equivalents 8 (PAEs), defining a virtually infinite-dimensional periodic table of NCs with degrees of freedom including shape, size, chemical composition, the capping ligand, and others. The shape of NC cores (Figure 1b) is partially responsible for\n\nPublished:\n\nMay 30, 2024\n\nFigure 1. Analogy between NCs and atoms. (a, b) NC cores play the role of atomic nuclei. (c, d) Ligands such as polymers and DNA are equifunctional to the electron shell. (e, f) Their combination gives rise to NC building blocks analogous to atoms. (g, h) Similarly to atoms, NCs can interact and bond. NCs interact via ligands through steric forces, van der Waals forces, or specific sites for hydrogen bonding. Solvent conditions modulate NC interactions. NCs can also bond by hybridization of quantum states, forming NC molecules. (i) Quantum chemistry explains the formation of crystalline lattices at the \u00c5-scal
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