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Study of the effect of orbital on interaction behaviour of SWCNT- metal phthalocyanines composites with ammonia gas

机译:轨道对氨气磷酸酞菁复合材料的相互作用行为的研究

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摘要

The present study deals with analysing the effect of central metal atom on interaction behaviour of a composite constituted of two materials, Single walled carbon nanotubes (SWCNT) and metal phthalocyanines (MPcs) (SWCNT-MPc) with ammonia gas. For this purpose, three metal phthalocyanines namely; Magnesium phthalo-cyanine (MgPc), Aluminum phthalocyanine hydroxide (AlPcOH) and Titanyl phthalocyanine (TiOPc) were taken and their variation in resistances with exposure of ammonia gas is taken as detection parameter. The central metal ions of MPcs were chosen so that valence electrons are in s, p and d orbitals respectively. The surface-interface interaction of pristine SWCNT towards ammonia gas was found to increase with better repeatability and stability after addition of MPcs. SWCNT-TiOPc composite exhibited maximum interaction with ammonia vapors (≈ 3 times pristine SWCNT) followed by SWCNT- MgPc (≈ 2 times pristine SWCNT), while AlPcOH had shown faster desorption (≈ 0.5 times faster) as compared to pristine SWCNT during recovery stage. The concept of charge transfer mechanism between SWCNT-MPcs and ammonia gas and varied orbital state accommodating ammonia lone pairs were used to explain interaction studies. Consistencies observed in physics and chemistry analysis highlighted the significance of both these fields to have complete understanding of the interaction phenomena between SWCNT-MPcs and ammonia gas.
机译:本研究涉及中枢金属原子对两种材料,单壁碳纳米管(SWCNT)和金属酞菁(MPCS)(SWCNT-MPC)的相互作用行为的影响与氨气。为此目的,三种金属酞菁即;考虑了镁酞菁(MGPC),铝酞菁氢氧化铝(AlPCOH)和钛酞菁(TIOPC),并将其暴露氨气暴露的抗性变化作为检测参数。选择MPC的中央金属离子,使得价值分别在S,P和D轨道中。发现原始SWCNT朝向氨气的表面界面相互作用以更好的重复性和加入MPCs的稳定性而增加。 SWCNT-TIOPC复合材料表现出与氨蒸汽的最大相互作用(≈3次原始SWCNT),然后是SWCNT-MGPC(≈2次原始SWCNT),而在恢复期期间,与原始SWCNT相比,AlPCOH在恢复期SWCNT相比,AlPCOH已经更快地解吸(≈0.5倍) 。 SWCNT-MPC和氨气与氨气和各种轨道状态容纳氨唯一对对的电荷转移机制的概念用于解释相互作用研究。物理学和化学分析中观察到的一致性突出了这些领域对SWCNT-MPC和氨气之间的相互作用现象完全了解的重要性。

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