Mesoscale atomic engineering in a crystal lattice

J.K. and F.M.R. acknowledge support from the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award No. DE-SC0025387 (algorithm development, data acquisition and analysis) and by the National Science Foundation (NSF) under Trailblazer Engineering Impact Award No. 2421694 (defect calculations). The STEM experiments were supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division and by the Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National Laboratory, a US Department of Energy Office of Science User Facility. M.R. acknowledges support from the Vidi ENW research programme of the Dutch Research Council (NWO) under grant DOI: 10.61686/YDRHT18202 (file no. VI.Vidi.233.077). The ab initio DFT and DFT+U computations were performed on the Dutch national supercomputer Snellius under project no. EINF-4184. This work was authored in part by the National Laboratory of the Rockies for the US Department of Energy under contract no. DE-AC36-08GO28308. S.A., D.P. and M.v.S. were supported by the Computational Chemical Sciences program within the US Department of Energy Office of Basic Energy Sciences. S.A., D.P. and M.v.S. acknowledge the use of the National Energy Research Scientific Computing Center (NERSC), supported by the US Department of Energy under contract no. DE-AC02-05CH11231, through NERSC award BES-ERCAP0021783, as well as computational resources sponsored by the US Department of Energy Office of Energy Efficiency and Renewable Energy and located at the National Laboratory of the Rockies. M.W. acknowledges support from the Center for Visualizing Catalytic Processes (VISION), funded by the Danish National Research Foundation (DNRF146). Z.S. was supported by project LUAUS25268 from the Ministry of Education, Youth and Sports (MEYS) and by the project Advanced Functional Nanorobots (reg. no. CZ.02.1.01/0.0/0.0/15_003/0000444, financed by the EFRR). We acknowledge the MIT SuperCloud and Lincoln Laboratory Supercomputing Center for providing HPC and database resources. This manuscript has been authored by UT-Battelle, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US Government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. The DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (https://www.energy.gov/doe-public-access-plan).