Tailoring the optoelectronic properties of graphyne and graphdiyne: nitrogen/sulfur dual doping versus oxygen containing functional groups
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OpenAlex topics: Graphene research and applications · 2D Materials and Applications · Advancements in Battery Materials
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References (43)
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1. Novoselov KS, Geim AK, Morozov SV, Jiang D, Zhang Y, Dubonos SV, Grigorieva IV, Firsov AA (2004) Electric field effect in atomically thin carbon films. Science 306:666–66910.1126/science.1102896 ↗
2. Iijima S (1991) Helical microtubules of graphitic carbon. Nature 354:56–5810.1038/354056a0 ↗
3. Smalley RE (1997) Discovering the fullerenes. Rev Mod Phys 69:723–73010.1103/RevModPhys.69.723 ↗
4. Calizo I, Balandin AA, Bao W, Miao F, Lau CN (2007) Temperature dependence of the raman spectra of graphene and graphene multilayers. Nano Lett 7:2645–264910.1021/nl071033g ↗
5. Balandin AA (2011) Thermal properties of graphene and nanostructured carbon materials. Nat Mater 10:569–58110.1038/nmat3064 ↗
6. Baughman R, Eckhardt H, Kertesz J (1987) Structure property predictions for new planar forms of carbon: layered phases containing sp2 and sp atoms. J Chem Phys 87:6687–669910.1063/1.453405 ↗
7. Haley M, Brand C, Pak J (1997) Graphene and applications. Chem Int 36:836–838
8. Peng Q, Dearden AK, Crean J, Han L, Liu Sh, Wen X, De S (2017) New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology. Nanotechnol Sci Appl 7:1–29
9. Junjie H, Shuang Ying M, Zhou P, Zhang CX, Chaoyu H, Sun LZ (2012) Magnetic properties of single transition-metal atom absorbed graphdiyne and graphyne sheet from DFT+ U calculations. J Phys Chem C 116:26313–2632110.1021/jp307408u ↗
10. Diederich F (1994) Carbon scaffolding: building acetylenic all-carbon and carbon-rich compound. Nature 369:199–20710.1038/369199a0 ↗
11. Coluci VR, Braga SF, Legoas SB, Galvão DS, Baughman RH (2003) Families of carbon nanotubes: graphyne-based nanotubes. Phys Rev B 68:035430. doi: 10.1103/PhysRevB.68.03543010.1103/PhysRevB.68.035430 ↗
12. Li G, Li Y, Liu H, Guo Y, Li Y, Zhu D (2010) Architecture of graphdiyne nanoscale films. Chem Commun 46:3256–325810.1039/b922733d ↗
13. Zhang H, Zhao X, Zhang M, Luo Y, Li G, Zhao M (2013) Three-dimensional diffusion of molecular hydrogen in graphdiyne: a first-principles study. J Phys D: Appl Phys 46:495307. doi: 10.1088/0022-3727/46/49/49530710.1088/0022-3727/46/49/495307 ↗
14. Yan Z, Wang L, Cheng J, Huang L, Zhu C, Chen C, Miao L, Jiang J (2014) Lithium-decorated oxidized graphyne for hydrogen storage by first principles study. J Appl Phys 116:174304. doi: 10.1063/1.490043510.1063/1.4900435 ↗
15. Hwang HJ, Kwon Y, Lee H (2012) Thermodynamically stable calcium-decorated graphyne as a hydrogen storage medium. J Phys Chem C 116:20220–2022410.1021/jp306222v ↗
16. Sun Ch, Searles DJ (2012) Lithium storage on graphdiyne predicted by DFT calculations. J Phys Chem C 116:26222–2622610.1021/jp309638z ↗
17. Jang B, Koo J, Park M, Lee H, Nam J, Kwon Y, Lee H (2013) Graphdiyne as a high-capacity lithium ion battery anode material. Appl Phys Lett 103:263904. doi: 10.1063/1.485023610.1063/1.4850236 ↗
18. Lalitha M, Mahadevan SS, Lakshmipathi S (2017) Improved lithium adsorption in boron- and nitrogen substituted graphene derivatives. J Mater Sci 52:815–831. doi: 10.1007/s10853-016-0378-610.1007/s10853-016-0378-6 ↗
19. Hwang HJ, Koo J, Park M, Park N, Kwon Y, Lee H (2013) Multilayer graphynes for lithium ion battery anode. J Phys Chem C 117:6919–692310.1021/jp3105198 ↗
20. Kan EJ, Li ZY, Yang JL, Hou JG (2008) Half-metallicity in edge-modified zigzag graphene nanoribbons. J Am Chem Soc 130:4224–422510.1021/ja710407t ↗
21. Son YW, Cohen ML, Louie SG (2006) Energy gaps in graphene nanoribbons. Phys Rev Lett 97:216803. doi: 10.1103/PhysRevLett.97.21680310.1103/PhysRevLett.97.216803 ↗
22. Bu H, Zhao M, Zhang H, Wang X, Xi Y, Wang Z (2012) Isoelectronic doping of graphdiyne with boron and nitrogen: stable configurations and band gap modification. J Phys Chem B 116:3934–393910.1021/jp300107d ↗
23. Deng X, Si M, Dai J (2012) Communication: oscillated band gaps of B/N-codoped α-graphyne. J Chem Phys 137:201101. doi: 10.1063/1.476935410.1063/1.4769354 ↗
24. Zhou J, Lv K, Wang Q, Chen XS, Sun Q, Jena P (2011) Electronic structures and bonding of graphyne sheet and its BN analog. J Chem Phys 134:174701. doi: 10.1063/1.358347610.1063/1.3583476 ↗
25. Bhattacharya B, Singh NB, Sarkar U (2015) Pristine and BN doped graphyne derivatives for UV light protection. Int J Quantum Chem 115:820–82910.1002/qua.24910 ↗
26. Koo J, Huang B, Lee H, Kim G, Nam J, Kwon Y, Lee H (2014) Tailoring the electronic band gap of graphyne. J Phys Chem C 118:2463–246810.1021/jp4087464 ↗
27. Bhattacharya B, Singh NB, Sarkar U (2014) Tuning of band gap due to fluorination of graphyne and graphdiyne. J Phys: Conf Ser 566:012014. doi: 10.1088/1742-6596/566/1/01201410.1088/1742-6596/566/1/012014 ↗
28. Long M, Tang L, Wang D, Li Y, Shuai Z (2011) Electronic structure and carrier mobility in graphdiyne Sheet and nanoribbons: theoretical predictions. ACS Nano 5:2593–260010.1021/nn102472s ↗
29. Wu W, Guo W, Zeng XC (2013) Intrinsic electronic and transport properties of graphyne sheets and nanoribbons. RSC Nanoscale 5:9264–927610.1039/c3nr03167e ↗
30. Kehoe JM, Kiley JH, English JJ, Johnson CA, Petersen RC, Haley M (2000) Carbon networks based on dehydrobenzoannulenes. 3. synthesis of graphyne substructures. Org Lett 2:969–97210.1021/ol005623w ↗
31. Haley MM (2008) Synthesis and properties of annulenic subunits of graphyne and graphdiyne nanoarchitectures. Pure Appl Chem 80:519–53210.1351/pac200880030519 ↗
32. Johnson CA, Lu Y, Haley MM (2007) Carbon networks based on benzocyclynes. 6. synthesis of graphyne substructures via directed alkyne metathesis. Org Lett 9:3725–372810.1021/ol7014253 ↗
33. Yoshimura T, Inaba A, Sonoda M, Tahara K, Tobe Y, Williams RV (2006) Synthesis and properties of trefoil-shaped tris(hexadehydrotribenzo[12] annulene) and tris(tetradehydrotribenzo[12]annulene). Org Lett 8:2933–293610.1021/ol060781u ↗
34. Liu HB, Xu JL, Li YJ, Li YL (2010) Aggregate nanostructures of organic molecular materials. Acc Chem Res 43:1496–150810.1021/ar100084y ↗
35. Zhou G, Paek E, Hwang GS, Manthiram A (2015) Long-life Li/polysulphide batteries with high sulphur loading enabled by lightweight three-dimensional nitrogen/sulphur-codoped graphene sponge. Nat Commun 6:7760. doi: 10.1038/ncomms876010.1038/ncomms8760 ↗
36. Ai W, Luo Zh, Jiang J, Zhu J, Du Zh, Fan Zh, Xie L, Zhang H, Huang W, Yu T (2014) Nitrogen and sulfur codoped graphene: multifunctional electrode materials for high-performance Li-ion batteries and oxygen reduction reaction. Adv Mater 26:6186–619210.1002/adma.201401427 ↗
37. Zhang J, Yang Z, Qiu J, Lee HW (2016) Design and synthesis of nitrogen and sulfur co-doped porous carbon via two-dimensional interlayer confinement for a high-performance anode material for lithium-ion batteries. J Mater Chem A 4:5802–580910.1039/C6TA00025H ↗
38. Huang H, Zhu J, Zhang W, Sekhar Tiwary C, Zhang J, Zhang X, Jiang Q, He H, Wu Y, Huang W, Ajayan PM, Yan Q (2016) Controllable codoping of nitrogen and sulfur in graphene for highly efficient Li-oxygen batteries and direct methanol fuel cells. Chem Mater 28:1737–174410.1021/acs.chemmater.5b04654 ↗
39. Mohajeri A, Shahsavar A (2016) Li-decoration on the edge oxidized graphyne and graphdiyne: a first principles study. Comput Mater Sci 115:51–5910.1016/j.commatsci.2015.12.048 ↗
40. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA et al (2009) Gaussian 09, revision A.02. Gaussian, Inc, Wallingford
41. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–386810.1103/PhysRevLett.77.3865 ↗
42. Shin H, Kang S, Koo J, Lee H, Kim J, Kwon Y (2014) Cohesion energetics of carbon allotropes: quantum Monte Carlo study. J Chem Phys 140:114702. doi: 10.1063/1.486754410.1063/1.4867544 ↗
43. Zhang S, Cai Y, He H, Zhang Y, Liu R, Cao H, Wang M, Liu J, Zhang G, Li Y, Liub H, Li B (2016) Heteroatom doped graphdiyne as efficient metal-free electrocatalyst for oxygen reduction reaction in alkaline medium. J Mater Chem A 4:4738–474410.1039/C5TA10579J ↗