Graphane: Difference between revisions
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'''Graphane''' is a two-dimensional [[polymer]] of [[carbon]] and [[hydrogen]] with the [[formula unit]] (CH)<sub>n</sub> where ''n'' is large. Graphane should not be confused with [[graphene]], a two-dimensional form of carbon alone. Graphane is a form of [[hydrogenation|hydrogenated]] graphene. Graphane's carbon bonds are in [[Orbital hybridisation#sp3 hybrids|''sp''<sup>3</sup> configuration]], as opposed to graphene's ''sp''<sup>2</sup> bond configuration, thus graphane is a two-dimensional analog of cubic [[diamond]]. |
'''Graphane''' is a two-dimensional [[polymer]] of [[carbon]] and [[hydrogen]] with the [[formula unit]] (CH)<sub>n</sub> where ''n'' is large. Graphane should not be confused with [[graphene]], a two-dimensional form of carbon alone. Graphane is a form of [[hydrogenation|hydrogenated]] graphene. Graphane's carbon bonds are in [[Orbital hybridisation#sp3 hybrids|''sp''<sup>3</sup> configuration]], as opposed to graphene's ''sp''<sup>2</sup> bond configuration, thus graphane is a two-dimensional analog of cubic [[diamond]]. |
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==Structure== |
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The structure was found, using a cluster expansion method, as the most stable of all the possible |
The structure was found, using a cluster expansion method, as the most stable of all the possible hydrogenation ratios of graphene in 2003.<ref>{{cite journal |last1=Sluiter |first1=Marcel H. |last2=Kawazoe |first2=Yoshiyuki |year=2003 |title=Cluster expansion method for adsorption: Application to hydrogen chemisorption on graphene |journal=[[Physical Review B]] |volume=68 |issue=8 |pages=085410 |bibcode=2003PhRvB..68h5410S |doi=10.1103/PhysRevB.68.085410}}</ref> In 2007, researchers found that the compound is more stable than other compounds containing carbon and hydrogen, such as [[benzene]], [[cyclohexane]] and [[polyethylene]].<ref name="sofo2007">{{cite journal |last1=Sofo |first1=Jorge O. |last2=Chaudhari |first2=Ajay S. |last3=Barber |first3=Greg D. |year=2007 |title=Graphane: A two-dimensional hydrocarbon |journal=[[Physical Review B]] |volume=75 |issue=15 |pages=153401 |arxiv=cond-mat/0606704 |bibcode=2007PhRvB..75o3401S |doi=10.1103/PhysRevB.75.153401}}</ref> This group named the predicted compound graphane, because it is the fully saturated version of graphene. The compound is an insulator. Chemical functionalization of graphene with hydrogen may be a suitable method to open a band gap in graphene.<ref name="sofo2007" /> |
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P-doped graphane is proposed to be a [[high-temperature superconductor|high-temperature]] [[BCS theory]] [[superconductor]] with a T<sub>c</sub> above 90 [[kelvin|K]].<ref>{{ |
P-doped graphane is proposed to be a [[high-temperature superconductor|high-temperature]] [[BCS theory]] [[superconductor]] with a T<sub>c</sub> above 90 [[kelvin|K]].<ref>{{Cite journal |last1=Savini |first1=G. |last2=Ferrari |first2=A. C. |last3=Giustino |first3=F. |year=2010 |title=First-principles prediction of doped graphane as a high-temperature electron-phonon superconductor |journal=[[Physical Review Letters]] |volume=105 |issue=3 |pages=037002 |arxiv=1002.0653 |bibcode=2010PhRvL.105c7002S |doi=10.1103/PhysRevLett.105.037002 |pmid=20867792}}</ref> |
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Any disorder in hydrogenation conformation tends to contract the lattice constant by about 2.0%.<ref name="Graphane_lattice">{{Cite journal | |
Any disorder in hydrogenation conformation tends to contract the lattice constant by about 2.0%.<ref name="Graphane_lattice">{{Cite journal |last1=Feng Huang |first1=Liang |last2=Zeng |first2=Zhi |year=2013 |title=Lattice dynamics and disorder-induced contraction in functionalized graphene |journal=[[Journal of Applied Physics]] |volume=113|issue=8 |page=083524<!-- --> |bibcode=2013JAP...113h3524F |doi=10.1063/1.4793790}}</ref> |
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== |
==Variants== |
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Partial hydrogenation leads to hydrogenated graphene rather than (fully hydrogenated) graphane.<ref name="Graphane">{{cite journal |
Partial hydrogenation leads to hydrogenated graphene rather than (fully hydrogenated) graphane.<ref name="Graphane">{{cite journal |last1=Elias |first1=D. C. |last2=Nair |first2=R. R. |last3=Mohiuddin |first3=T. M. |last4=Morozov |first4=S. V. |last5=Blake |first5=P. |last6=Halsall |first6=M. P. |last7=Ferrari |first7=A. C. |last8=Boukhvalov |first8=D. W. |last9=Katsnelson |first9=M. I. |last10=Geim |first10=A. K. |last11=Novoselov |first11=K. S. |year=2009 |title=Control of graphene's properties by reversible hydrogenation: Evidence for graphane |journal=[[Science (journal)|Science]] |volume=323 |issue=5914 |pages=610–3 |arxiv=0810.4706 |bibcode=2009Sci...323..610E |doi=10.1126/science.1167130 |pmid=19179524}}</ref> Such compounds are usually named as "graphane-like" structures. Graphane and graphane-like structures can be formed by electrolytic hydrogenation of graphene or few-layer graphene or high-oriented [[pyrolytic graphite]]. In the last case mechanical exfoliation of hydrogenated top layers can be used.<ref>{{cite journal |last1=Ilyin |first1=A. M. |last2=Guseinov |first2=N. R. |last3=Tsyganov |first3=I. A. |last4=Nemkaeva |first4=R. R. |year=2011 |title=Computer simulation and experimental study of graphane-like structures formed by electrolytic hydrogenation |journal=[[Physica E]] |volume=43 |issue=6 |pages=1262 |bibcode=2011PhyE...43.1262I |doi=10.1016/j.physe.2011.02.012}}</ref> |
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Hydrogenation of graphene on substrate affects only one side, preserving hexagonal symmetry. One-sided hydrogenation of graphene is possible due to the existence of ripplings. Because the latter are distributed randomly, the obtained material is disordered in contrast to two-sided graphane.<ref name="Graphane" /> Annealing allows the hydrogen to disperse, reverting to graphene.<ref> |
Hydrogenation of graphene on substrate affects only one side, preserving hexagonal symmetry. One-sided hydrogenation of graphene is possible due to the existence of ripplings. Because the latter are distributed randomly, the obtained material is disordered in contrast to two-sided graphane.<ref name="Graphane" /> Annealing allows the hydrogen to disperse, reverting to graphene.<ref>{{cite journal |last=Novoselov |first=Konstantin Novoselov |year=2009 |title=Beyond the wonder material |journal=[[Physics World]] |volume=22 |issue=8 |pages=27–30 |bibcode=2009PhyW...22h..27N |doi=10.1088/2058-7058/22/08/33}}</ref> Simulations revealed the underlying kinetic mechanism.<ref name="Graphane_kinetics">{{Cite journal |last1=Huang |first1=Liang Feng |last2=Zheng |first2=Xiao Hong |last3=Zhang |first3=Guo Ren |last4=Li |first4=Long Long |last5=Zeng |first5=Zhi |year=2011 |title=Understanding the Band Gap, Magnetism, and Kinetics of Graphene Nanostripes in Graphane |journal=[[Journal of Physical Chemistry C]] |volume=115 |issue=43 |pages=21088–21097 |doi=10.1021/jp208067y}}</ref> |
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[[Density functional theory]] calculations suggested that hydrogenated and fluorinated forms of other group IV ([[Silicon|Si]], [[Germanium|Ge]] and [[Tin|Sn]]) [[nanosheet]]s present properties similar to graphane.<ref name="jcott2011">{{Cite journal | |
[[Density functional theory]] calculations suggested that hydrogenated and fluorinated forms of other group IV ([[Silicon|Si]], [[Germanium|Ge]] and [[Tin|Sn]]) [[nanosheet]]s present properties similar to graphane.<ref name="jcott2011">{{Cite journal |last1=Cott Garcia |first1=Joelson |last2=De Lima |first2=Denille B. |last3=Assali |first3=Lucy V. C. |last4=Justo |first4=João F. |year=2012 |title=Group-IV graphene- and graphane-like nanosheets |journal=[[Journal of Physical Chemistry C]] |volume=115 |issue=27 |pages=13242–13246 |arxiv=1204.2875 |bibcode=2012arXiv1204.2875C |doi=10.1021/jp203657w}}</ref> |
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==Potential applications== |
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This compound has been proposed for hydrogen storage.<ref name="sofo2007" /> Hydrogenation decreases the dependence of the [[lattice constant]] on temperature, which indicates a possible application in precision instruments.<ref name="Graphane_lattice"/> |
This compound has been proposed for hydrogen storage.<ref name="sofo2007" /> Hydrogenation decreases the dependence of the [[lattice constant]] on temperature, which indicates a possible application in precision instruments.<ref name="Graphane_lattice"/> |
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{{reflist|30em}} |
{{reflist|30em}} |
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==External links== |
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* [http://nanotechweb.org/cws/article/lab/43687 Sep 14, 2010 Hydrogen vacancies induce stable ferromagnetism in graphane] |
* [http://nanotechweb.org/cws/article/lab/43687 Sep 14, 2010 Hydrogen vacancies induce stable ferromagnetism in graphane] |
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* [http://www.nanowerk.com/news/newsid=16427.php May 25, 2010 Graphane yields new potential] |
* [http://www.nanowerk.com/news/newsid=16427.php May 25, 2010 Graphane yields new potential] |
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Revision as of 18:09, 1 September 2018
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| Identifiers | |
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| ChemSpider |
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| Properties | |
| (CH)n | |
| Molar mass | Variable |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Graphane is a two-dimensional polymer of carbon and hydrogen with the formula unit (CH)n where n is large. Graphane should not be confused with graphene, a two-dimensional form of carbon alone. Graphane is a form of hydrogenated graphene. Graphane's carbon bonds are in sp3 configuration, as opposed to graphene's sp2 bond configuration, thus graphane is a two-dimensional analog of cubic diamond.
Structure
The structure was found, using a cluster expansion method, as the most stable of all the possible hydrogenation ratios of graphene in 2003.[1] In 2007, researchers found that the compound is more stable than other compounds containing carbon and hydrogen, such as benzene, cyclohexane and polyethylene.[2] This group named the predicted compound graphane, because it is the fully saturated version of graphene. The compound is an insulator. Chemical functionalization of graphene with hydrogen may be a suitable method to open a band gap in graphene.[2]
P-doped graphane is proposed to be a high-temperature BCS theory superconductor with a Tc above 90 K.[3]
Any disorder in hydrogenation conformation tends to contract the lattice constant by about 2.0%.[4]
Variants
Partial hydrogenation leads to hydrogenated graphene rather than (fully hydrogenated) graphane.[5] Such compounds are usually named as "graphane-like" structures. Graphane and graphane-like structures can be formed by electrolytic hydrogenation of graphene or few-layer graphene or high-oriented pyrolytic graphite. In the last case mechanical exfoliation of hydrogenated top layers can be used.[6]
Hydrogenation of graphene on substrate affects only one side, preserving hexagonal symmetry. One-sided hydrogenation of graphene is possible due to the existence of ripplings. Because the latter are distributed randomly, the obtained material is disordered in contrast to two-sided graphane.[5] Annealing allows the hydrogen to disperse, reverting to graphene.[7] Simulations revealed the underlying kinetic mechanism.[8]
Density functional theory calculations suggested that hydrogenated and fluorinated forms of other group IV (Si, Ge and Sn) nanosheets present properties similar to graphane.[9]
Potential applications
This compound has been proposed for hydrogen storage.[2] Hydrogenation decreases the dependence of the lattice constant on temperature, which indicates a possible application in precision instruments.[4]
References
- ^ Sluiter, Marcel H.; Kawazoe, Yoshiyuki (2003). "Cluster expansion method for adsorption: Application to hydrogen chemisorption on graphene". Physical Review B. 68 (8): 085410. Bibcode:2003PhRvB..68h5410S. doi:10.1103/PhysRevB.68.085410.
- ^ a b c Sofo, Jorge O.; Chaudhari, Ajay S.; Barber, Greg D. (2007). "Graphane: A two-dimensional hydrocarbon". Physical Review B. 75 (15): 153401. arXiv:cond-mat/0606704. Bibcode:2007PhRvB..75o3401S. doi:10.1103/PhysRevB.75.153401.
- ^ Savini, G.; Ferrari, A. C.; Giustino, F. (2010). "First-principles prediction of doped graphane as a high-temperature electron-phonon superconductor". Physical Review Letters. 105 (3): 037002. arXiv:1002.0653. Bibcode:2010PhRvL.105c7002S. doi:10.1103/PhysRevLett.105.037002. PMID 20867792.
- ^ a b Feng Huang, Liang; Zeng, Zhi (2013). "Lattice dynamics and disorder-induced contraction in functionalized graphene". Journal of Applied Physics. 113 (8): 083524. Bibcode:2013JAP...113h3524F. doi:10.1063/1.4793790.
- ^ a b Elias, D. C.; Nair, R. R.; Mohiuddin, T. M.; Morozov, S. V.; Blake, P.; Halsall, M. P.; Ferrari, A. C.; Boukhvalov, D. W.; Katsnelson, M. I.; Geim, A. K.; Novoselov, K. S. (2009). "Control of graphene's properties by reversible hydrogenation: Evidence for graphane". Science. 323 (5914): 610–3. arXiv:0810.4706. Bibcode:2009Sci...323..610E. doi:10.1126/science.1167130. PMID 19179524.
- ^ Ilyin, A. M.; Guseinov, N. R.; Tsyganov, I. A.; Nemkaeva, R. R. (2011). "Computer simulation and experimental study of graphane-like structures formed by electrolytic hydrogenation". Physica E. 43 (6): 1262. Bibcode:2011PhyE...43.1262I. doi:10.1016/j.physe.2011.02.012.
- ^ Novoselov, Konstantin Novoselov (2009). "Beyond the wonder material". Physics World. 22 (8): 27–30. Bibcode:2009PhyW...22h..27N. doi:10.1088/2058-7058/22/08/33.
- ^ Huang, Liang Feng; Zheng, Xiao Hong; Zhang, Guo Ren; Li, Long Long; Zeng, Zhi (2011). "Understanding the Band Gap, Magnetism, and Kinetics of Graphene Nanostripes in Graphane". Journal of Physical Chemistry C. 115 (43): 21088–21097. doi:10.1021/jp208067y.
- ^ Cott Garcia, Joelson; De Lima, Denille B.; Assali, Lucy V. C.; Justo, João F. (2012). "Group-IV graphene- and graphane-like nanosheets". Journal of Physical Chemistry C. 115 (27): 13242–13246. arXiv:1204.2875. Bibcode:2012arXiv1204.2875C. doi:10.1021/jp203657w.