DOE OSTI · 2574081
Encoding hierarchical 3D architecture through inverse design of programmable bonds
Abstract
The ability to fabricate materials and devices at small scales by design has resulted in tremendous technological progress. However, the need for engineered three-dimensional (3D) nanoscale materials requires new strategies for organizing nanocomponents. Here we demonstrate an inverse design approach for the assembly of nanoparticles into hierarchically ordered 3D organizations using DNA voxels with directional, addressable bonds. By identifying intrinsic symmetries in repeating mesoscale structural motifs, we prescribe a set of voxels, termed a mesovoxel, that are assembled into target 3D crystals. The relationship between different degrees of encoded information used for voxel bonds and the fidelity of assembly is investigated using experimental and computational methods. We apply this assembly strategy to create periodic 3D nanoparticle ordered organizations, including structures with low-dimensional elements, helical motifs, a nanoscale analogue of a face-centred perovskite crystal and a distributed Bragg reflector based on a crystal with plasmonic and photonic length-scale regimes.
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Kahn, Jason S. [Columbia Univ., New York, NY (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)] (ORCID:0000000263301703), Minevich, Brian [Columbia Univ., New York, NY (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)], Michelson, Aaron [Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN); Columbia Univ., New York, NY (United States)] (ORCID:0000000330603788), Emamy, Hamed [Columbia Univ., New York, NY (United States)] (ORCID:0000000250785569), Wu, Jiahao [Columbia Univ., New York, NY (United States)] (ORCID:0009000957574797), Ji, Huajian [Columbia Univ., New York, NY (United States)], Yun, Alexia [Columbia Univ., New York, NY (United States)], Kisslinger, Kim [Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)], Xiang, Shuting [Columbia Univ., New York, NY (United States)], Yu, Nanfang [Columbia Univ., New York, NY (United States)] (ORCID:0000000294624724), Kumar, Sanat K. [Columbia Univ., New York, NY (United States)] (ORCID:0000000266902221), Gang, Oleg [Columbia Univ., New York, NY (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN); Institute for Basic Science, Seoul (Korea, Republic of); Yonsei Univ., Seoul (Korea, Republic of)] (ORCID:0000000155343121). 2025-07-09. Encoding hierarchical 3D architecture through inverse design of programmable bonds. https://doi.org/10.1038/s41563-025-02263-1
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