It has previously been established during the elimination of Eriochrome Black T (EBT) that water hardness is an important condition that limits the efficacy of electrochemical treatments of azo dye effluent by the electrophilic attack of ^●OH radicals, due to the possible formation of calcium and magnesium complexes. This outcome was observed when using the Electro-Fenton (EF) approach, where the use of iron as a catalyst is mandatory; however, the synergistic or antagonistic effects of iron were not considered. For this reason, this communication presents important experimental and theoretical insights (using Density Functional Theory (DFT) and Quantum Theory of Atoms in Molecules (QTAIM)) into the influence of different ions (Ca²⁺, Mg²⁺ or Fe²⁺) on the degradation efficiency of EBT solution using anodic oxidation (AO) with boron-doped diamond (BDD) electrodes.

先前已经铬黑T（EBT）消除水的硬度是一个重要的条件，即限制的通过的亲电攻击偶氮染料流出物的电化学治疗的效力期间建立^●由于可能形成钙的OH自由基，和镁配合物。当使用电子芬顿（EF）方法时，观察到了这种结果，其中必须使用铁作为催化剂。然而，没有考虑铁的协同或拮抗作用。因此，本交流对不同离子（Ca 2 ⁺，Mg ²⁺或Fe ²⁺）的影响提供了重要的实验和理论见解（使用密度泛函理论（DFT）和分子中的原子量子论（QTAIM））。）与掺硼金刚石（BDD）电极一起使用阳极氧化（AO）对EBT溶液的降解效率）。