2023
DOI: 10.1039/d3ta00606a
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Main-group indium single-atom catalysts for electrocatalytic NO reduction to NH3

Abstract: Electrochemical reduction of NO to NH3 offers a fascinating approach for realizing both harmful NO treatment and efficient NH3 electrosynthesis. Main-group metal elements show great potential for designing high-performing NORR...

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Cited by 45 publications
(27 citation statements)
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“…The charge-density difference map (Figure b) shows a remarkable charge transfer (−0.84 |e|) from the bridge Pd site to *NO 3 for effective NO 3 – activation. Meanwhile, both charge accumulation and depletion occur on *NO 3 , suggesting that the bridge Pd site polarizes *NO 3 via a charge “donation–back-donation” mechanism. In addition, the corresponding partial density of states analysis (Figure S12) displays a pronounced hybridization between the *NO 3 p and Pd d orbitals, indicating a strong Pd–*NO 3 interaction and further confirming the powerful NO 3 – activation on the bridge Pd site of PdP 2 (011). …”
mentioning
confidence: 80%
“…The charge-density difference map (Figure b) shows a remarkable charge transfer (−0.84 |e|) from the bridge Pd site to *NO 3 for effective NO 3 – activation. Meanwhile, both charge accumulation and depletion occur on *NO 3 , suggesting that the bridge Pd site polarizes *NO 3 via a charge “donation–back-donation” mechanism. In addition, the corresponding partial density of states analysis (Figure S12) displays a pronounced hybridization between the *NO 3 p and Pd d orbitals, indicating a strong Pd–*NO 3 interaction and further confirming the powerful NO 3 – activation on the bridge Pd site of PdP 2 (011). …”
mentioning
confidence: 80%
“…Since the HER is the major competing reaction for the NORR, [57][58][59][60][61] the HER activity of the NORR-favored Ni site is further examined to assess its NORR selectivity. As shown in Fig.…”
Section: Resultsmentioning
confidence: 99%
“…29 Meanwhile, the partially occupied p-orbitals in p-block metals are confirmed to be active for NvO bond dissociation, making p-block metal-based materials promising as a new class of NORR catalysts. [30][31][32][33][34] P-block Sb-based catalysts are appealing NORR candidates owing to the great capability of Sb sites to impede the HER and activate the nitrogen-containing molecules. 35 On the other hand, catalysts with atomically isolated sites are known to present outstanding catalytic performance because of their high atom utilization and optimal binding with intermediates and reactants.…”
Section: Introductionmentioning
confidence: 99%