Large‐scale computational screening of highly effective zeolites for trace PH3 capture from hydrogen
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DOI: 10.1002/aic.18438
Abstract: Developing highly efficient adsorbents to remove trace PH3 from circulating H2 is essential for electronic‐grade silica production. Here, the pure PH3 adsorption and PH3/H2 separation performances of 103 all‐silica zeolites under various operating conditions were… read more here.
Keywords: trace ph3; computational screening; scale computational; adsorption ... 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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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