Abstract
The performances of Ti-doped carbon and boron nitride nanocages towards chloride monoxide (ClO) oxidation were examined. Details of mechanisms of oxidation of ClO on Ti-doped carbon and boron nitride nanocages were examined. Ti atoms of Ti–\(\hbox {C}_{48}\) and Ti–\(\hbox {B}_{24}\hbox {N}_{24}\) show catalytic activity towards ClO adsorption with low-barrier energies. Results displayed that the Ti-doped carbon and boron nitride nanocages oxidized ClO by the mechanisms of Eley–Rideal (ER) and Langmuir–Hinshelwood (LH). Catalytic activities in the LH path were limited by irremediable adsorption of chloride dioxide (\(\hbox {ClO}_{2}\)) on Ti–\(\hbox {C}_{48}\) and Ti–\(\hbox {B}_{24}\hbox {N}_{24}\). While, in the ER path, the first and second \(\hbox {ClO}_{2}\) were separated, directly. Finally, the results proved that the Ti–\(\hbox {C}_{48}\) and Ti–\(\hbox {B}_{24}\hbox {N}_{24}\) show suitable catalytic abilities towards ClO oxidation via the ER path.
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Mak K F, Lee C, Hone J, Shan J and Heinz T F 2010 Phys. Rev. Lett. 105 136805
Bernardi M, Palummo M and Grossman J C 2013 Nano Lett. 13 3664
Elias A L, Perea-Lopez N, Castro-Beltran A, Berkdemir A, Lv R, Feng S et al 2013 ACS Nano 7 5235
Bernardi M, Ataca C and Grossman M J C 2016 Nanophotonics 5 111
Jin W, Yeh P-C, Zaki N, Zhang D and Sadowski J T 2013 Phys. Rev. Lett. 111 106801
Butler S Z, Hollen S M, Cao L, Cui Y, Gupta J A, Gutierrez H R et al 2013 ACS Nano 7 2898
Kuc A, Zibouche N and Heine T 2011 Phys. Rev. B 83 245213
Tang Q and Zhou Z 2013 Prog. Mater. Sci. 58 1244
Wang Q H, Zadeh K K, Kis A, Coleman J N and Strano M S 2012 Nat. Nanotechnol. 7 699
Radisavljevic B, Radenovic A, Brivio J, Giacometti V and Kis A 2011 Nat. Nanotechnol. 6 147
Chang K and Chen W 2011 ACS Nano 5 472
Britnell L, Ribeiro R M, Eckmann A, Jalil R, Belle B D, Mishchenko A et al 2013 Science 340 1311
Shanmugam M, Bansal T, Durcan C A and Yu B 2012 12th IEEE Conference on Nanotechnology
Zong X, Wu G, Yan H, Ma G, Shi J, Wen F et al 2010 J. Phys. Chem. C 114 1963
Xiang Q, Yu J and Jaroniec M 2012 J. Am. Chem. Soc. 134 6575
Dalrymple B J, Mroczkowski S and Prober D E 1986 J. Cryst. Growth 74 575
Hofmann W K, Lewerenz H J and Petienkofer C 1988 Sol. Energy Mater. 17 165
Xu K, Wang F, Wang Z, Zhan X, Wang Q, Cheng Z et al 2014 ACS Nano 8 8468
Tan C, Zhao W, Chaturvedi A, Fei Z, Zeng Z, Chen J et al 2016 Small 12 1866
Tedstone A A, Lewis D J and O’Brien P 2016 Chem. Mater. 28 1965
Zhang Y, Liu K, Wang F, Shifa T A, Wen Y, Wang F et al 2017 Nanoscale 9 5641
Rao C N R and Nag A 2010 Eur. J. Inorg. Chem. 2010 4244
Matte H S S R, Gomathi A, Manna A K, Datta R, Pati S K, Rao C N et al 2010 Angew. Chem. 122 4153
Deepak F L, Mayoral A and Yacaman M J 2009 Mater. Chem. Phys. 118 392
Duan X, Wang C, Shaw J C, Cheng R, Chen Y et al 2014 Nat. Nanotechnol. 9 1024
Tongay S, Fan W, Kang J, Park J, Koldemir U, Suh J et al 2014 Nano Lett. 14 3185
Pourabbas B and Jamshidi B 2008 Chem. Eng. J. 138 55
Momma K and Izumi F 2011 J. Appl. Crystallogr. 44 1272
Chetia L, Kalita D and Ahmed G A 2017 J. Photochem. Photobiol. 338 134
Kumar R, Verzhbitskiy I and Eda G 2015 IEEE J. Quantum Electron. 51 1
Razavi R, Hosseini S M A and Ranjbar M 2014 Iran J. Chem. Chem. Eng. 33 29
Razavi R, Kardani M N, Ghanbari A, Lariche M J and Baghban A 2018 Petrol. Sci. Technol. 36 807
Parsaee Z, Karachi N and Razavi R 2018 Ultrason. Sonochem. 47 36
Zahedifar M, Razavi R and Sheibani H 2016 J. Mol. Struct. 1125 730
Karachi N, Hosseini M, Parsaee Z and Razavi R 2018 J. Photochem. Photobiol. 364 344
Bie R J, Siddiqui M K, Razavi R, Taherkhani M and Najafi M 2018 Acta Chim. Slov. 65 303
Sharifian S, Harasek M and Haddadi B 2016 Chem. Prod. Process Model. 11 67
Sharifian S and Harasek M 2015 Chem. Eng. Trans. 45 409
Sharifian S, Asasian Kolur N and Harasek M 2019 Energy Sources 1 11
Afshar A, Hosseini M S and Behzadfar E 2014 Sci. Iran., Trans. D 21 2107
Hosseini S A, Gorjian M, Rasouli L and Shirali S 2015 Biosci. Biotechnol. Res. Asia 12 141
Ebrahimi A, Hosseini S A and Rahim F 2014 Cent. Eur. J. Immunol. 39 400
Rahim F, Allahmoradi H, Salari F, Shahjahani M, Fard A D, Hosseini S A et al 2013 Int. J. Hematol. Oncol. Stem Cell Res. 7 41
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The research was supported by the Scientific Research Fund of Heilongjiang Education Department (No. 1353ZD002) and the Science and Technology Plan Projects of Mudanjiang (No. Z2017g0084).
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Sui, C., Zhang, Z., Cai, X. et al. Titanium-doped carbon and boron nitride nanocages (Ti–\(\hbox {C}_{48}\) and Ti–\(\hbox {B}_{24}\hbox {N}_{24}\)) as catalysts for \(\hbox {ClO} + 1/2\hbox {O}_{2} \rightarrow \hbox {ClO}_{2}\) reaction: theoretical study. Bull Mater Sci 43, 28 (2020). https://doi.org/10.1007/s12034-019-1983-1
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DOI: https://doi.org/10.1007/s12034-019-1983-1