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Electronic Modulation of MoS2 Nanosheets by N-Doping for Highly Sensitive NO2 Detection at Room Temperature
ACS Sensors ( IF 8.2 ) Pub Date : 2023-12-26 , DOI: 10.1021/acssensors.3c02148 Kai Zhao 1 , Xiao Chang 1 , Jun Zhang 1 , Feng Yuan 1 , Xianghong Liu 1
ACS Sensors ( IF 8.2 ) Pub Date : 2023-12-26 , DOI: 10.1021/acssensors.3c02148 Kai Zhao 1 , Xiao Chang 1 , Jun Zhang 1 , Feng Yuan 1 , Xianghong Liu 1
Affiliation
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Transition metal dichalcogenide (TMD) materials hold great promise for gas sensors working at room temperature (RT). But the low response and slow dynamics derived from pristine TMDs remain a challenge toward their real applications. In this work, we report an efficient N-doping strategy to modulate the electronic structure of MoS2 nanosheets (N-MoS2) to achieve improved detection toward NO2. The effect of N-doping on the sensor properties, which has been rarely investigated, is elucidated by both experimental and computational studies. Due to N-doping, the Fermi level of N-MoS2 decreased from −5.29 to −5.33 eV and the band gap was reduced from 1.79 to 1.65 eV. The smaller band gap indicated the reduced resistance of N-MoS2 compared to that of original MoS2. As a result, the response of the MoS2 sensor to 10 ppm of NO2 was improved from 1.23 to 2.31 at RT. The sensor also has a limit of detection (LOD) of 62.5 ppb. To explain the effect of N-doping, density functional theory (DFT) calculations were conducted to figure out the important roles played by N-doping. This work demonstrates a pathway to modulate the chemical and electronic structures of TMD materials for advanced sensors.
中文翻译：
通过 N 掺杂对 MoS2 纳米片进行电子调制，实现室温下高灵敏度 NO2 检测
过渡金属二硫属化物 (TMD) 材料对于在室温 (RT) 下工作的气体传感器具有广阔的前景。但原始 TMD 的低响应和缓慢动态仍然是对其实际应用的挑战。在这项工作中，我们报告了一种有效的N掺杂策略来调节MoS 2纳米片（N-MoS 2 ）的电子结构，以改善对NO 2的检测。氮掺杂对传感器特性的影响很少被研究，但通过实验和计算研究得到了阐明。由于N掺杂，N-MoS 2的费米能级从-5.29降低到-5.33 eV，带隙从1.79降低到1.65 eV。较小的带隙表明与原始MoS 2相比，N-MoS 2的电阻降低。结果，MoS 2传感器对10 ppm NO 2的响应在RT下从1.23提高到2.31。该传感器的检测限 (LOD) 也为 62.5 ppb。为了解释氮掺杂的影响，我们进行了密度泛函理论（DFT）计算，以找出氮掺杂所发挥的重要作用。这项工作展示了一种调节先进传感器 TMD 材料的化学和电子结构的途径。
更新日期：2023-12-26
中文翻译：
通过 N 掺杂对 MoS2 纳米片进行电子调制，实现室温下高灵敏度 NO2 检测
过渡金属二硫属化物 (TMD) 材料对于在室温 (RT) 下工作的气体传感器具有广阔的前景。但原始 TMD 的低响应和缓慢动态仍然是对其实际应用的挑战。在这项工作中，我们报告了一种有效的N掺杂策略来调节MoS 2纳米片（N-MoS 2 ）的电子结构，以改善对NO 2的检测。氮掺杂对传感器特性的影响很少被研究，但通过实验和计算研究得到了阐明。由于N掺杂，N-MoS 2的费米能级从-5.29降低到-5.33 eV，带隙从1.79降低到1.65 eV。较小的带隙表明与原始MoS 2相比，N-MoS 2的电阻降低。结果，MoS 2传感器对10 ppm NO 2的响应在RT下从1.23提高到2.31。该传感器的检测限 (LOD) 也为 62.5 ppb。为了解释氮掺杂的影响，我们进行了密度泛函理论（DFT）计算，以找出氮掺杂所发挥的重要作用。这项工作展示了一种调节先进传感器 TMD 材料的化学和电子结构的途径。
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