The Comment on our publication [Prasongkit et al., RSC Adv., 2016, 64, 59299] is puzzling since it is well known that biphenyl is fairly non-reactive. Hence, it's not surprising we have low binding energies when the gas molecules were adsorbed on biphenyl dithiol (BPDT). The large binding energy of NO₂ chemisorbed onto BPDT (∼2.04 eV) in the Comment conflicts with existing theoretical and experimental evidence. Grigoriev et al. have attempted to compare their results to our findings, employing different approximation schemes under the density functional theory (DFT) framework. Here, the effect of taking into account van der Waals (vdW) interactions upon the adsorption mechanism of small aromatic molecules has been discussed.

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回复 A. Grigoriev、H. Jafri 和 K. Leifer，RSC Adv.，2020，10，DOI：10.1039/C9RA00451C 的“关于“联苯二硫醇中用于气体检测的量子干扰效应”的评论

对我们出版物的评论 [Prasongkit et al. , RSC 进阶。, 2016, 64 , 59299] 令人费解，因为众所周知联苯是相当不活泼的。因此，当气体分子吸附在联苯二硫醇 (BPDT) 上时，我们具有低结合能也就不足为奇了。_{评论中 NO 2}化学吸附到 BPDT 上的大结合能（~2.04 eV）与现有的理论和实验证据相冲突。格里戈里耶夫等人。试图将他们的结果与我们的发现进行比较，在密度泛函理论（DFT）框架下采用不同的近似方案。在这里，已经讨论了考虑范德华（vdW）相互作用对小芳烃分子吸附机制的影响。