Encoding hierarchical 3D architecture through inverse design of programmable bonds

Kahn, Jason S.; Minevich, Brian; Michelson, Aaron; Emamy, Hamed; Wu, Jiahao; Ji, Huajian; Yun, Alexia; Kisslinger, Kim; Xiang, Shuting; Yu, Nanfang; Kumar, Sanat K.; Gang, Oleg

doi:10.1038/s41563-025-02263-1

Encoding hierarchical 3D architecture through inverse design of programmable bonds

Journal Article · Wed Jul 09 00:00:00 EDT 2025 · Nature Materials

DOI:https://doi.org/10.1038/s41563-025-02263-1· OSTI ID:2574081

^[1]; Minevich, Brian ^[1]; ^[2]; ^[3]; ^[3]; Ji, Huajian ^[3]; Yun, Alexia ^[3]; Kisslinger, Kim ^[4]; Xiang, Shuting ^[3]; ^[3]; ^[3]; ^[5]

Columbia Univ., New York, NY (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN); Columbia Univ., New York, NY (United States)
Columbia Univ., New York, NY (United States)
Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
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)

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.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: Gordon and Betty Moore Foundation (GBMF); National Science Foundation (NSF); US Army Research Office (ARO); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: SC0008772; SC0012704

OSTI ID:: 2574081

Report Number(s):: BNL--228495-2025-JAAM

Journal Information:: Nature Materials, Journal Name: Nature Materials Journal Issue: 8 Vol. 24; ISSN 1476-4660; ISSN 1476-1122

Publisher:: Springer NatureCopyright Statement

Country of Publication:: United States

Language:: English

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