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Theoretical and experimental studies of the influence of gold ions and DMH on cyanide-free gold electrodeposition

机译：金离子和DMH对无氰化金电沉积影响的理论和实验研究

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Quantum chemical calculations based on density functional theory (DFT) were employed to determine an appropriate gold source for gold electroplating and to ascertain the stable structures of gold-complexes in cyanide-free electrolyte. Based on the charge distribution of 5,5-dimethylhydantoin (DMH) and the bonding energy of gold complexes, Au3+ is the appropriate gold source for DMH-based gold electroplating electrolyte to get greater cathodic polarization and [Au(DMH)4]? with 2N(4)–Au coordination structure is the most stable form of gold ion in the electrolyte. The influence of DMH, used as the complexing agent, on electrochemical behaviors was investigated using cathodic polarization, cyclic voltammetry, and chronoamperometry measurements. With DMH as the complexing agent, the cathodic polarization of gold electrodeposition was significantly enhanced. DMH concentration was determined as 0.30 mol L?1 based on the investigation of the influence of the DMH concentration on cathodic polarization and gold electrodeposit micromorphology. The kinetic features based on cyclic voltammogram measurements revealed that the electrodeposition was an irreversible process under diffusion control with 0.30 mol L?1 DMH as the complexing agent. The ion and electron transfers were obviously inhibited by DMH. The gold electrodeposition process displayed progressive nucleation according to the Scharifker and Hills nucleation model with various applied potentials. The growth rate of the crystal nucleus was reduced by DMH and promoted by a negative shift of Eap.
机译：采用基于密度泛函理论（DFT）的量子化学计算来确定合适的金电镀金源，并确定无氰化物电解质中金络合物的稳定结构。根据5,5-二甲基乙内酰脲（DMH）的电荷分布和金配合物的键能，Au 3 + 是用于DMH基金电镀的合适金源电解质获得更大的阴极极化，并使用2N（4）–Au [Au（DMH） 4 ] ？ 配位结构是电解质中金离子最稳定的形式。使用阴极极化，循环伏安法和计时电流法测量研究了用作络合剂的DMH对电化学行为的影响。用DMH作为络合剂，金电沉积的阴极极化显着增强。通过研究DMH浓度对阴极极化和金电沉积微观形貌的影响，确定DMH浓度为0.30 mol L ？1 。基于循环伏安法测量的动力学特征表明，在扩散控制下，以0.30 mol L ？1 DMH作为络合剂，电沉积是不可逆的过程。 DMH明显抑制了离子和电子的转移。根据Scharifker和Hills的成核模型，金电沉积过程显示出逐步成核，并具有各种施加电势。 DMH降低了晶核的生长速率，而 E ap 的负位移促进了晶核的生长速率。

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