<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Feng Shao</style></author><author><style face="normal" font="default" size="100%">Yixuan Gao</style></author><author><style face="normal" font="default" size="100%">Wenhui Xu</style></author><author><style face="normal" font="default" size="100%">Fengbin Sun</style></author><author><style face="normal" font="default" size="100%">Long Chen</style></author><author><style face="normal" font="default" size="100%">Li, Fan</style></author><author><style face="normal" font="default" size="100%">Liu, Wen</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Catalytic activation of formic acid using Pd nanocluster decorated graphitic carbon nitride for diclofenac reductive hydrodechlorination</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Hazardous Materials</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Catalytic reduction</style></keyword><keyword><style  face="normal" font="default" size="100%">Dechlorination</style></keyword><keyword><style  face="normal" font="default" size="100%">Diclofenac</style></keyword><keyword><style  face="normal" font="default" size="100%">Formic acid</style></keyword><keyword><style  face="normal" font="default" size="100%">Pd nanocluster</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://www.sciencedirect.com/science/article/pii/S0304389422024736</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">446</style></volume><pages><style face="normal" font="default" size="100%">130677</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">Halogenated pharmaceuticals exhibit high toxicity if released to natural environment, and dehalogenation is a key process for their degradation. In this study, a reductive and directional dehalogenation technique, heterogenous formic acid (HCOOH) catalytic activation system, was proposed for diclofenac (DCF) dechlorination and detoxification. A functional material of Pd nanocluster decorated graphitic carbon nitride (Pd/g-C3N4) was developed for HCOOH activation. Although the optimized material (Pd1/g-C3N4) showed lower HCOOH decomposition rate (k1 = 0.287 ± 0.017 min−1) than the pristine Pd particles (k1 = 0.401 ± 0.031 min−1), it processed higher DCF degradation efficiency (97.9% within 30 min) than Pd particles. The enhancement mechanism was revealed by both experiments and theoretical calculations. Firstly, the six-fold cavities of g-C3N4 acted as anchor sites, which offered strong coordination environment for Pd nanoclusters. Secondly, the strong coordination environment of Pd led to upshifted d-band center of Pd 4d with enhanced bonding state, and then promoted HCOOH adsorption on Pd/g-C3N4, thus facilitating HCOOH decomposition through formate pathway rather than carboxyl pathway. Thirdly, Pd/g-C3N4 ensured HCOOH selectively decomposed as dehydrogenation reaction, which generated more H* (adsorbed H on Pd) than the dehydration reaction. The H* was proved to be the dominant reductive species for DCF hydrodechlorination. Moreover, the toxicities of DCF dechlorination products were greatly reduced.</style></abstract></record></records></xml>