物理化学学报2024，Vol.40Issue(11)：21-22,2.DOI:10.3866/PKU.WHXB202311001
引入内建电场增强光载流子分离以促进H2的生产
Built-in Electric Fields Enhancing Photocarrier Separation and H2 Evolution
摘要
Abstract
The construct of the internal electric field(IEF)is recognized as an effective driver for promoting charge migration and separation to enhance photocatalytic performance.In this study,one-dimensional nanorods of Mn0.2Cd0.8S(MCS)co-doped with interstitial chlorine(Clint)and substitutional chlorine(Clsub)were designed and synthesized using a one-step solvothermal method.The incorporation of Clint and Clsub led to an unbalanced charge distribution and the formation of IEF in the MCS nanorods,contributing to the improvement of photogenerated carrier kinetic behavior.Through density functional theory(DFT)calculations,the effect of Clint and Clsub doping on the activity of the MCS was visually explained by examining differences in electronic structure,charge distribution and H2 adsorption/desorption balance.Interestingly,the modulation of the energy band structure of MCS primarily resulted from the contribution of Clint,while Clsub playing a negligible role.Moreover,the Clsub further facilitated the optimization of Clint concerning the H2 adsorption-desorption Gibbs free energy(ΔGH*)of MCS.Ultimately,the ΔGH* of 0.9 Cl-MCS favored H2 production(1.14 vs.0.17 eV),leading to a 9 times increase in photocatalytic H2 production activity compared to MCS.This investigation presents a valuable approach for constructing IEF in bimetallic sulfide photocatalysts.关键词
光催化/产氢/双金属硫化物/内建电场/吉布斯自由能Key words
Photocatalysis/H2 production/Bimetallic sulfides/Internal electric fields/Gibbs free energy分类
化学化工引用本文复制引用
孙培培,张锦源,宋艳华,莫曌,陈志刚,许晖..引入内建电场增强光载流子分离以促进H2的生产[J].物理化学学报,2024,40(11):21-22,2.基金项目
This study was financially supported by the National Natural Science Foundation of China(22378174,21878134,22208129,22108110). 国家自然科学基金(22378174,21878134,22208129,22108110)资助 （22378174,21878134,22208129,22108110）
