Unlocking efficient RhB degradation by silver nanowires and porous graphene doped MoTe2: Combined experimental and DFT insights

IF 8.7 Q1 CHEMISTRY, PHYSICAL

Applied Surface Science Advances Pub Date : 2025-07-18 DOI:10.1016/j.apsadv.2025.100802

Afsah Mobeen Haider , Muhammad Ikram , Anwar Ul-Hameed , Ghafar Ali , Souraya Goumri-Said , Mohammed Benali Kanoun

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Abstract

A novel ternary nanocatalyst (NC) comprising silver nanowires (Ag NWs) and porous graphene (PG) assisted MoTe₂ was synthesized via a controlled co-precipitation method for the primary objective of disinfecting contaminated water. A constant 3 % PG improved charge transport, meanwhile (2 and 4 wt. %) Ag NWs effectively regulated MoTe₂ growth and recombination dynamics. XRD confirmed the coexistence of monoclinic and rhombohedral phases of MoTe₂. Electronic spectroscopy indicated a characteristic absorption in the 400–800 nm range and bandgap energy (Eg) increased from 1.92 to 2.17 eV with the insertion of dopants. FTIR spectra validated the presence of Mo-Te bonding and TEM images illustrated the formation of MoTe₂ nanosheets with emergence of porous sheets and Ag NWs with addition of PG and Ag NWs. Notably, 4 wt. % Ag NWs/PG-MoTe₂ achieved remarkable 97.28 % rhodamine B (RhB) degradation under acidic conditions attributed to improved charge separation. Density Functional Theory (DFT) calculations used to model and compute the interaction mechanism among RhB and Ag NWs/PG-MoTe₂ during adsorption.

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银纳米线和多孔石墨烯掺杂MoTe2解锁RhB的有效降解：结合实验和DFT见解

采用可控共沉淀法合成了一种由银纳米线（Ag NWs）和多孔石墨烯（PG）辅助MoTe2组成的新型三元纳米催化剂（NC），其主要目的是对污水进行消毒。恒定的3% PG改善了电荷输运，同时（2和4 wt. %） Ag NWs有效地调节了MoTe2的生长和重组动力学。XRD证实了MoTe2的单斜相和菱形相共存。电子能谱分析表明，掺杂剂在400 ~ 800 nm范围内具有特征吸收，带隙能量（Eg）从1.92 eV增加到2.17 eV。FTIR光谱证实了Mo-Te键的存在，TEM图像证实了MoTe2纳米片的形成与多孔片的出现，以及Ag NWs的加入与PG和Ag NWs的加入。值得注意的是，4 wt. % Ag NWs/PG-MoTe2由于改善了电荷分离，在酸性条件下实现了97.28%的罗丹明B （RhB）降解。密度泛函理论（DFT）计算用于模拟和计算吸附过程中RhB与Ag NWs/PG-MoTe2相互作用机理。

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