Chemosensing nature of black phosphorene nanotube towards C14H9Cl5 and C10H5Cl7 molecules – A first-principles insight

作者: J. Princy Maria , V. Nagarajan , R. Chandiramouli

DOI: 10.1016/J.COMPTC.2020.113109

关键词: Chemical physicsPhysisorptionAdsorptionChemistryElectronic band structureNanotubePhosphoreneBand gapMoleculeElectron density

摘要: … The adsorption properties for the target molecules assimilation over black phosphorene … the black phosphorene nanotube. The electronic characteristics of black phosphorene nanotube …

参考文章(96)
Hongyan Guo, Ning Lu, Jun Dai, Xiaojun Wu, Xiao Cheng Zeng, Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers Journal of Physical Chemistry C. ,vol. 118, pp. 14051- 14059 ,(2014) , 10.1021/JP505257G
Ruixiang Fei, Li Yang, Strain-Engineering the Anisotropic Electrical Conductance of Few-Layer Black Phosphorus Nano Letters. ,vol. 14, pp. 2884- 2889 ,(2014) , 10.1021/NL500935Z
Rodrigo G Amorim, Ralph H Scheicher, Silicene as a new ultrafast DNA sequencing device arXiv: Mesoscale and Nanoscale Physics. ,(2014) , 10.1088/0957-4484/26/15/154002
Byungjin Cho, Myung Gwan Hahm, Minseok Choi, Jongwon Yoon, Ah Ra Kim, Young-Joo Lee, Sung-Gyu Park, Jung-Dae Kwon, Chang Su Kim, Myungkwan Song, Yongsoo Jeong, Kee-Seok Nam, Sangchul Lee, Tae Jin Yoo, Chang Goo Kang, Byoung Hun Lee, Heung Cho Ko, Pulickel M. Ajayan, Dong-Ho Kim, Charge-transfer-based gas sensing using atomic-layer MoS2. Scientific Reports. ,vol. 5, pp. 8052- 8052 ,(2015) , 10.1038/SREP08052
Maciej Gutowski, Jeanne G. C. M. van Duijneveldt‐van de Rijdt, Joop H. van Lenthe, Frans B. van Duijneveldt, Accuracy of the Boys and Bernardi function counterpoise method Journal of Chemical Physics. ,vol. 98, pp. 4728- 4737 ,(1993) , 10.1063/1.465106
T. P. Kaloni, N. Singh, U. Schwingenschlögl, Prediction of a quantum anomalous Hall state in Co-decorated silicene Physical Review B. ,vol. 89, pp. 035409- ,(2014) , 10.1103/PHYSREVB.89.035409
Yong-Hui Zhang, Ya-Bin Chen, Kai-Ge Zhou, Cai-Hong Liu, Jing Zeng, Hao-Li Zhang, Yong Peng, Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study. Nanotechnology. ,vol. 20, pp. 185504- ,(2009) , 10.1088/0957-4484/20/18/185504
John P. Perdew, J. A. Chevary, S. H. Vosko, Koblar A. Jackson, Mark R. Pederson, D. J. Singh, Carlos Fiolhais, Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Physical Review B. ,vol. 46, pp. 6671- 6687 ,(1992) , 10.1103/PHYSREVB.46.6671
Saikat Mukhopadhyay, Ralph H. Scheicher, Ravindra Pandey, Shashi P. Karna, Sensitivity of Boron Nitride Nanotubes toward Biomolecules of Different Polarities Journal of Physical Chemistry Letters. ,vol. 2, pp. 2442- 2447 ,(2011) , 10.1021/JZ2010557
Javad Beheshtian, Mohammad Kamfiroozi, Zargham Bagheri, Ali Ahmadi, Computational study of CO and NO adsorption on magnesium oxide nanotubes Physica E-low-dimensional Systems & Nanostructures. ,vol. 44, pp. 546- 549 ,(2011) , 10.1016/J.PHYSE.2011.09.016