Nanoscale devices are being extensively studied for their tunable electronic and optical properties, but the influence of impurities and defects is amplified at these length scales and can lead to poorly understood variations in characteristics of semiconducting materials. By performing a large ensemble of photoconductivity measurements in nanogaps bridged by core-shell CdSe/ZnS semiconductor nanocrystals, we discover optoelectronic methods for affecting solid-state charge trap populations. We introduce a model that unifies previous work and transforms the problem of irreproducibility in nanocrystal electronic properties into a reproducible and robust photocurrent response due to trap state manipulation. Because traps dominate many physical processes, these findings may lead to improved performance and device tunability for various nanoscale applications through the control and optimization of impurities and defects.
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http://dx.doi.org/10.1021/nl9024209 | DOI Listing |
Nat Commun
January 2025
Department of Condensed Matter Physics, Weizmann Institute of Science, Rehovot, Israel.
Chirality-induced spin selectivity (CISS) generates giant spin polarization in transport through chiral molecules, paving the way for novel spintronic devices and enantiomer separation. Unlike conventional transport, CISS magnetoresistance (MR) violates Onsager's reciprocal relation, exhibiting significant resistance changes when reversing electrode magnetization at zero bias. However, its underlying mechanism remains unresolved.
View Article and Find Full Text PDFNat Commun
January 2025
Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA, USA.
Sci Rep
December 2024
Department of Physics, Shahid Beheshti University, Tehran, 1983969411, Iran.
Machine learning interatomic potentials, as a modern generation of classical force fields, take atomic environments as input and predict the corresponding atomic energies and forces. We challenge the commonly accepted assumption that the contribution of an atom can be learned from the short-range local environment of that atom. We employ density functional theory calculations to quantify the decay of the induced electron density and electrostatic potential in response to local perturbations throughout insulating, semiconducting and metallic samples of different dimensionalities.
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan.
Two-dimensional (2D) β-TeO has gained attention as a promising material for optoelectronic and power device applications, thanks to its transparency and high hole mobility. However, the mechanisms driving its -type conductivity and dopability remain elusive. In this study, we investigate the intrinsic and extrinsic point defects in monolayer and bilayer β-TeO, the latter of which has been experimentally synthesized, using the Heyd-Scuseria-Ernzerhof (HSE) + D3 hybrid functional.
View Article and Find Full Text PDFJ Phys Chem A
December 2024
Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States.
The fact that the photoabsorption spectrum of a material contains information about the atomic structure, commonly understood in terms of multiple scattering theory, is the basis of the popular extended X-ray absorption spectroscopy (EXAFS) technique. How much of the same structural information is present in other complementary spectroscopic signals is not obvious. Here we use a machine learning approach to demonstrate that within theoretical models that accurately predict the EXAFS signal, the extended near-edge region does indeed contain the EXAFS-accessible structural information.
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