High activity of step sites on Pd nanocatalysts in electrocatalytic dechlorination
Yao‐Yin Lou, Xiao Chi, Jia-Yi Fang, Tian Sheng, Lifei Ji, Qizheng Zheng, Binbin Xu, Na Tian, Shi‐Gang Sun
Abstract
FTIR analysis, and density functional theory (DFT) calculations revealed that the adsorbed CO bond and generated on the step sites could lower the C-Cl bond splitting barrier, leading to a high ECDR efficiency. Other chlorinated organics with an activated carbon atom were also investigated, which revealed that the superiority of the step sites toward Cl-C bond breaking was particular to the compounds with CO bonds. This study provides a deep understanding of high actvitiy of step sites on Pd NCs in EHDC and a strategy to improve this important environmental electrocatalysis process.
Topics & Concepts
Nanomaterial-based catalystChemistryCatalysisElectrochemistryElectrocatalystCyclic voltammetryReductive dechlorinationDensity functional theoryAdsorptionInorganic chemistryPhysical chemistryComputational chemistryOrganic chemistryElectrodeBiodegradationEnvironmental remediation with nanomaterialsNanomaterials for catalytic reactionsRadioactive element chemistry and processing