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First-Principles Predictions of MoS2-WS2 In-Plane Heterostructures for Sensing Dissolved Gas Species in Oil-Immersed Transformers
ACS Omega ( IF 3.7 ) Pub Date : 2024-04-23 , DOI: 10.1021/acsomega.4c00681
Tian Tian 1 , Xiu Zhou 1 , Jiaying Yu 1 , Jin Bai 1 , Lei Chen 1 , Ninghui He 1 , Xiuguang Li 1 , Heng Zhang 1 , Hao Cui 2
ACS Omega ( IF 3.7 ) Pub Date : 2024-04-23 , DOI: 10.1021/acsomega.4c00681
Tian Tian 1 , Xiu Zhou 1 , Jiaying Yu 1 , Jin Bai 1 , Lei Chen 1 , Ninghui He 1 , Xiuguang Li 1 , Heng Zhang 1 , Hao Cui 2
Affiliation
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This work from first-principles insight uses a MoS2-WS2 in-plane heterostructure as a potential sensing material for detection of CO and C2H2, two typical dissolved gases in oil-immersed transformers, in order to evaluate the operation status. The adsorption performance of the MoS2-WS2 heterostructure upon two gas species is assessed via three adsorption sites and compared with isolated MoS2 and WS2. Results indicate that MoS2-WS2 performs with a much stronger binding force and charge-transfer for adsorptions of CO and C2H2 in comparison to the isolated counterpart, which gives rise to more obvious deformation in the electronic property of MoS2-WS2 as well as a much larger resistance-based sensing response. The recovery time of MoS2-WS2 for desorption of CO and C2H2 molecules is also appropriate to allow the reusability of such a sensor. The findings in this work uncover the admirable sensing potential of transition metal dichalcogenides (TMDs)-based heterostructures upon oil dissolved gases, which opens up a new way to explore novel 2D nanomaterials as resistive gas sensors for dissolved gas analysis in electrical oil-immersed transformers.
中文翻译：
用于感测油浸变压器中溶解气体种类的 MoS2-WS2 面内异质结构的第一性原理预测
这项工作从第一性原理出发，采用MoS 2 -WS 2面内异质结构作为潜在的传感材料，用于检测油浸式变压器中两种典型溶解气体CO和C 2 H 2 ，以评估运行状态。通过三个吸附位点评估MoS 2 -WS 2异质结构对两种气体的吸附性能，并与分离的MoS 2和WS 2进行比较。结果表明，与孤立的对应物相比，MoS 2 -WS 2对CO和C 2 H 2的吸附具有更强的结合力和电荷转移，这导致MoS 2的电子性质发生更明显的变形 - WS 2以及更大的基于电阻的传感响应。 MoS 2 -WS 2用于解吸CO和C 2 H 2分子的恢复时间也适合允许这种传感器的可重复使用性。这项工作的发现揭示了基于过渡金属二硫属化物（TMD）的异质结构对油溶解气体的令人惊叹的传感潜力，这开辟了探索新型二维纳米材料作为电阻式气体传感器用于油浸式变压器中溶解气体分析的新方法。
更新日期：2024-04-23
中文翻译：
用于感测油浸变压器中溶解气体种类的 MoS2-WS2 面内异质结构的第一性原理预测
这项工作从第一性原理出发，采用MoS 2 -WS 2面内异质结构作为潜在的传感材料，用于检测油浸式变压器中两种典型溶解气体CO和C 2 H 2 ，以评估运行状态。通过三个吸附位点评估MoS 2 -WS 2异质结构对两种气体的吸附性能，并与分离的MoS 2和WS 2进行比较。结果表明，与孤立的对应物相比，MoS 2 -WS 2对CO和C 2 H 2的吸附具有更强的结合力和电荷转移，这导致MoS 2的电子性质发生更明显的变形 - WS 2以及更大的基于电阻的传感响应。 MoS 2 -WS 2用于解吸CO和C 2 H 2分子的恢复时间也适合允许这种传感器的可重复使用性。这项工作的发现揭示了基于过渡金属二硫属化物（TMD）的异质结构对油溶解气体的令人惊叹的传感潜力，这开辟了探索新型二维纳米材料作为电阻式气体传感器用于油浸式变压器中溶解气体分析的新方法。
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