Prasongkit Jariyanee
Division of Physics, Faculty of Science, Nakhon Phanom University Nakhon Phanom 48000 Thailand
RSC Adv. 2020 Jan 14;10(5):2560-2561. doi: 10.1039/c9ra06459a.
The Comment on our publication [Prasongkit , , 2016, , 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 NO chemisorbed onto BPDT (∼2.04 eV) in the Comment conflicts with existing theoretical and experimental evidence. Grigoriev 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.
对我们发表的文章[Prasongkit, , 2016, , 59299]的评论令人费解，因为众所周知，联苯的反应活性相当低。因此，当气体分子吸附在联苯二硫醇（BPDT）上时，我们得到较低的结合能也就不足为奇了。评论中提到的NO化学吸附在BPDT上的大结合能（约2.04电子伏特）与现有的理论和实验证据相冲突。Grigoriev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）框架下采用了不同的近似方案。在此，讨论了考虑范德华（vdW）相互作用对小芳香族分子吸附机制的影响。
