Formaldehyde(HCHO) is one kind of common indoor toxic pollutant,the catalytic oxidation degradation of formaldehyde at room temperature is desired.In this work,a new single atomic catalyst(SAC),Al doped graphene,for t...Formaldehyde(HCHO) is one kind of common indoor toxic pollutant,the catalytic oxidation degradation of formaldehyde at room temperature is desired.In this work,a new single atomic catalyst(SAC),Al doped graphene,for the catalytic oxidation of HCHO molecules was proposed through density function theory(DFT) calculations.It is found that Al atoms can be adsorbed on graphene stably without aggre s sion.Then HCHO can be effectively oxidized into CO2 and H2 O in the presence of O2 molecules on Al doped graphene with a low energy barrier of 0.82 eV and releasing energy of 2.29 eV with the pathway of HCHO→HCOOH→CO→CO2.The oxidation reaction can happen promptly with reaction time τ=56.9 s at the speed control step at room temperature.Therefore,this work proposed a high-performance catalyst Al-doped graphene without any noble metal for HCHO oxidation at ambient temperature,and corresponding oxidation pathway and mechanism are also deeply understood.展开更多
基金National Natural Science Foundation of China (Nos.21777033,21607029 and 41425015)Science and Technology Planning Project of Guangdong Province (No. 2017B020216003)the Innovation Team Project of Guangdong Provincial Department of Education (No.2017KCXTD012)。
文摘Formaldehyde(HCHO) is one kind of common indoor toxic pollutant,the catalytic oxidation degradation of formaldehyde at room temperature is desired.In this work,a new single atomic catalyst(SAC),Al doped graphene,for the catalytic oxidation of HCHO molecules was proposed through density function theory(DFT) calculations.It is found that Al atoms can be adsorbed on graphene stably without aggre s sion.Then HCHO can be effectively oxidized into CO2 and H2 O in the presence of O2 molecules on Al doped graphene with a low energy barrier of 0.82 eV and releasing energy of 2.29 eV with the pathway of HCHO→HCOOH→CO→CO2.The oxidation reaction can happen promptly with reaction time τ=56.9 s at the speed control step at room temperature.Therefore,this work proposed a high-performance catalyst Al-doped graphene without any noble metal for HCHO oxidation at ambient temperature,and corresponding oxidation pathway and mechanism are also deeply understood.
