Publications by authors named "Noah Meyer"
Predicting the error in density functional theory (DFT) calculations due to the choice of exchange-correlation (XC) functional is crucial to the success of DFT, but currently, there are limited options to estimate this a priori. This is particularly important for high-throughput screening of new materials. In this work, the structure and elastic properties of binary and ternary oxides are computed using four XC functionals: LDA, PBE-GGA, PBEsol, and vdW-DF with C09 exchange.
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- Fluorosis is a global health issue that significantly impacts quality of life through bone and liver damage, making the detection and elimination of fluoride and PFOA in drinking water crucial for health.
- A new sensitive luminescent metal-organic framework (MOF) called In(tcpp) has been developed, which effectively detects fluoride ions and PFOA with very low detection limits, and can be reused multiple times.
- In(tcpp) not only serves as a sensor but also acts as a highly efficient adsorbent for removing fluoride and PFOA from water, showcasing its dual functionality for pollution mitigation.
One of the simplest molecular-scale electronic devices is the molecular rectifier. In spite of considerable efforts aimed at understanding structure-property relationships in these systems, devices with predictable and stable electronic properties are yet to be developed. Here, we demonstrate highly efficient current rectification in a new class of compounds that form self-assembled monolayers on silicon.
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