Rational doping regulation of Cu(OH)2 and Cu3P obtained by three-step continuous transformation for overall water splitting

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F25%3A10490815" target="_blank" >RIV/00216208:11320/25:10490815 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=_6hPb39KWA" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=_6hPb39KWA</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.apsusc.2025.162333" target="_blank" >10.1016/j.apsusc.2025.162333</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Rational doping regulation of Cu(OH)2 and Cu3P obtained by three-step continuous transformation for overall water splitting

Popis výsledku v původním jazyce

Non-precious metal-based electrocatalysts are earth-abundant and cost-effective, which are expected to be alternative to traditional precious metal-based electrocatalysts. However, Cu-based electrocatalysts are plagued by low intrinsically catalytic activity for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) and deactivation at high potentials. Herein, the doping effect of 3d transition metal elements including Co, Cr, Fe, Mn, and Ni on the HER activity of Cu3P and the OER activity of CuOOH were theoretically determined by first principles calculations. Co-Cu3P and Co-CuOOH exhibit improved HER and OER activities, respectively, which are attributed to the decreasing electron transfer between the substrate and OH/H induced by the doping Co atom. Experiments confirmed that Co-Cu(OH)2 and Co-Cu3P yield overpotentials of 242.6 mV and 78.8 mV at a current density of 10 mA cm-2 for OER and HER, respectively. A working voltage of 1.54 V at a current density of 10 mA cm-2 was achieved for a Co-Cu(OH)2 || Co-Cu3P electrolyzer, comparable with that of the commercial RuO2/CF || Pt/C/CF. These findings show the enormous potential of theory-guided rational design of electrocatalysts, providing a new pathway to develop high-performance electrocatalysts.

Název v anglickém jazyce

Rational doping regulation of Cu(OH)2 and Cu3P obtained by three-step continuous transformation for overall water splitting

Popis výsledku anglicky

Non-precious metal-based electrocatalysts are earth-abundant and cost-effective, which are expected to be alternative to traditional precious metal-based electrocatalysts. However, Cu-based electrocatalysts are plagued by low intrinsically catalytic activity for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) and deactivation at high potentials. Herein, the doping effect of 3d transition metal elements including Co, Cr, Fe, Mn, and Ni on the HER activity of Cu3P and the OER activity of CuOOH were theoretically determined by first principles calculations. Co-Cu3P and Co-CuOOH exhibit improved HER and OER activities, respectively, which are attributed to the decreasing electron transfer between the substrate and OH/H induced by the doping Co atom. Experiments confirmed that Co-Cu(OH)2 and Co-Cu3P yield overpotentials of 242.6 mV and 78.8 mV at a current density of 10 mA cm-2 for OER and HER, respectively. A working voltage of 1.54 V at a current density of 10 mA cm-2 was achieved for a Co-Cu(OH)2 || Co-Cu3P electrolyzer, comparable with that of the commercial RuO2/CF || Pt/C/CF. These findings show the enormous potential of theory-guided rational design of electrocatalysts, providing a new pathway to develop high-performance electrocatalysts.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/EH22_008%2F0004572" target="_blank" >EH22_008/0004572: Kvantové materiály pro aplikace v udržitelných technologiích</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Applied Surface Science Advances

ISSN

2666-5239

e-ISSN

2666-5239

Svazek periodika

688

Číslo periodika v rámci svazku

duben

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

10

Strana od-do

162333

Kód UT WoS článku

001397888800001

EID výsledku v databázi Scopus

2-s2.0-85214519579