2023
DOI: 10.1039/d3qi00268c
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Atomically isolated and unsaturated Sb sites created on Sb2S3for highly selective NO electroreduction to NH3

Abstract: Electrochemical NO-to-NH3 conversion (NORR) offers a promising pathway to achieve both harmful NO treatment and effective NH3 electrosynthesis. Main group p-block metal catalysts are promising NORR candidates but remain largely...

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Cited by 21 publications
(13 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%
“…[16][17][18] Nevertheless, the NORR conversion efficiency is restricted by the high NORR reaction energy barriers and fierce competition from the hydrogen evolution reaction (HER), 19 and it is necessary to explore high-performance electrocatalysts to promote the NORR while retarding the HER. [20][21][22] Currently, research on the NORR is mainly focused on precious metal and non-precious metal-based materials, [23][24][25][26][27][28][29][30][31][32][33][34][35] while metal-free catalysts still lack adequate exploration. It is known that there are only limited metal reserves on the Earth and the excess use of metal catalysts would largely increase the possibility of metal contamination and environmental pollution.…”
mentioning
confidence: 99%
“…Currently, research on the NORR is mainly focused on precious metal and non-precious metal-based materials, 23–35 while metal-free catalysts still lack adequate exploration. It is known that there are only limited metal reserves on the Earth and the excess use of metal catalysts would largely increase the possibility of metal contamination and environmental pollution.…”
mentioning
confidence: 99%
“…These results demonstrate that Pd can effectively absorb and activate NO on its hcp site through a mixed pathway with a low energy barrier. Considering that the HER is the major competitive reaction for the NORR, [44][45][46][47][48] we further evaluate the competitive adsorption of NO and H on the hcp site of Pd. Fig.…”
mentioning
confidence: 99%