Constructing heterojunction is an effective strategy to develop high-performance non-preciousmetal-based catalysts for electrochemical water splitting(WS).Herein,we design and prepare an N-doped-carbon-encapsulated Ni...Constructing heterojunction is an effective strategy to develop high-performance non-preciousmetal-based catalysts for electrochemical water splitting(WS).Herein,we design and prepare an N-doped-carbon-encapsulated Ni/MoO_(2) nano-needle with three-phase heterojunction(Ni/MoO_(2)@CN)for accelerating the WS under industrial alkaline condition.Density functional theory calculations reveal that the electrons are redistributed at the three-phase heterojunction interface,which optimizes the adsorption energy of H-and O-containing intermediates to obtain the best ΔG_(H*) for hydrogen evolution reaction(HER)and decrease the ΔG value of ratedetermining step for oxygen evolution reaction(OER),thus enhancing the HER/OER catalytic activity.Electrochemical results confirm that Ni/MoO_(2)@CN exhibits good activity for HER(ƞ_(-10)=33 mV,ƞ_(-1000)=267 mV)and OER(ƞ_(10)=250 mV,ƞ_(1000)=420 mV).It shows a low potential of 1.86 V at 1000 mA cm^(−2) for WS in 6.0 M KOH solution at 60℃ and can steadily operate for 330 h.This good HER/OER performance can be attributed to the three-phase heterojunction with high intrinsic activity and the self-supporting nano-needle with more active sites,faster mass diffusion,and bubbles release.This work provides a unique idea for designing high efficiency catalytic materials for WS.展开更多
基金supported by the National Natural Science Foundation of China(21872040,22162004)the Hundred Talents Program of Guangxi Universities,the Excellent Scholars and Innovation Team of Guangxi Universities+1 种基金the Innovation Project of Guangxi Graduate Education(YCBZ2021011)the High-performance Computing Platform of Guangxi University.
文摘Constructing heterojunction is an effective strategy to develop high-performance non-preciousmetal-based catalysts for electrochemical water splitting(WS).Herein,we design and prepare an N-doped-carbon-encapsulated Ni/MoO_(2) nano-needle with three-phase heterojunction(Ni/MoO_(2)@CN)for accelerating the WS under industrial alkaline condition.Density functional theory calculations reveal that the electrons are redistributed at the three-phase heterojunction interface,which optimizes the adsorption energy of H-and O-containing intermediates to obtain the best ΔG_(H*) for hydrogen evolution reaction(HER)and decrease the ΔG value of ratedetermining step for oxygen evolution reaction(OER),thus enhancing the HER/OER catalytic activity.Electrochemical results confirm that Ni/MoO_(2)@CN exhibits good activity for HER(ƞ_(-10)=33 mV,ƞ_(-1000)=267 mV)and OER(ƞ_(10)=250 mV,ƞ_(1000)=420 mV).It shows a low potential of 1.86 V at 1000 mA cm^(−2) for WS in 6.0 M KOH solution at 60℃ and can steadily operate for 330 h.This good HER/OER performance can be attributed to the three-phase heterojunction with high intrinsic activity and the self-supporting nano-needle with more active sites,faster mass diffusion,and bubbles release.This work provides a unique idea for designing high efficiency catalytic materials for WS.
