Hardness, LDT, cyclic voltammetric and DFT studies of glycine-doped sodium potassium tartrate crystals

IF 3 3区化学 Q3 CHEMISTRY, PHYSICAL

Computational and Theoretical Chemistry Pub Date : 2025-09-12 DOI:10.1016/j.comptc.2025.115472

S.Jerin Blessy , H. Johnson Jeyakumar , P. Selvarajan , A. Antony Muthu Prabhu

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引用次数: 0

Abstract

Sodium potassium tartrate (SPT), commonly referred to as Rochelle salt (NaKC₄H₄O₆·4H₂O), is widely studied for its versatile properties. It exhibits ferroelectric, piezoelectric, and nonlinear optical characteristics, making it valuable in various fields. Additionally, it holds potential for applications in environmental and biomedical sectors. Research efforts focus on modifying and doping the crystal to enhance its functionality. Such modifications aim to broaden its use in areas like optoelectronics, sensing, and medical devices. This study specifically investigates the growth and properties of glycine-doped sodium potassium tartrate (GSPT) crystals. Introducing glycine as a dopant explores its effect on the crystal's physical and chemical attributes. The research employs techniques such as single-crystal XRD, LDT, hardness, cyclic voltammetry, antimicrobial activity, dielectric studies, and DFT analysis. The results from these methods are discussed in detail in this paper.

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甘氨酸掺杂酒石酸钠钾晶体的硬度、LDT、循环伏安和DFT研究

酒石酸钾钠（SPT），通常被称为罗谢尔盐（NaKC4H4O6·4H2O），因其多功能而被广泛研究。它具有铁电、压电和非线性光学特性，在各个领域都有应用价值。此外，它还具有在环境和生物医学领域应用的潜力。研究工作集中在修改和掺杂晶体以增强其功能。这些改进旨在扩大其在光电子、传感和医疗设备等领域的应用。本研究专门研究了甘氨酸掺杂酒石酸钠钾（GSPT）晶体的生长和性质。引入甘氨酸作为掺杂剂，探索其对晶体物理和化学性质的影响。该研究采用了单晶XRD， LDT，硬度，循环伏安法，抗菌活性，介电研究和DFT分析等技术。本文对这些方法的结果进行了详细的讨论。

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来源期刊

Computational and Theoretical Chemistry CHEMISTRY, PHYSICAL-

CiteScore

4.20

自引率

10.70%

发文量

331

审稿时长

31 days

期刊介绍： Computational and Theoretical Chemistry publishes high quality, original reports of significance in computational and theoretical chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms, molecules, clusters, surfaces, and bulk matter.