Articles with "theoretical screening" as a keyword



Theoretical Screening and Experimental Synthesis of Ultrahigh-Iodine Capture Covalent Organic Frameworks.

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Published in 2021 at "ACS applied materials & interfaces"

DOI: 10.1021/acsami.0c17748

Abstract: Radioactive materials of nuclear waste would be hazardous to human health such as the reproductive and metabolic system. How to design a radioactive material adsorbent quickly and efficiently is still a great challenge. In this… read more here.

Keywords: organic frameworks; screening experimental; theoretical screening; ultrahigh iodine ... See more keywords

Theoretical screening of highly efficient multifunctional single-atom catalysts supported by pc-C3N2 monolayer for the electrocatalytic HER, OER and ORR

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Published in 2025 at "New Journal of Chemistry"

DOI: 10.1039/d4nj05017g

Abstract: Exploring highly efficient, stable, and low-cost multifunctional electrocatalysts for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is of great significance for overall water... read more here.

Keywords: highly efficient; screening highly; single atom; theoretical screening ... See more keywords