DOI: 10.1007/s00214-011-0910-3. Attractive interaction between transition-metal atom impurities and vacancies in graphene: a first-principles study

Attractive interaction between transition-metal atom impurities and vacancies in graphene: a first-principles study

10.1007/s00214-011-0910-3

Crossref journal-article

Springer Science and Business Media LLC

Theoretical Chemistry Accounts (297)

Bibliography

Krasheninnikov, A. V., & Nieminen, R. M. (2011). Attractive interaction between transition-metal atom impurities and vacancies in graphene: a first-principles study. Theoretical Chemistry Accounts, 129(3â5), 625â630.

Authors 2

A. V. Krasheninnikov (first)
R. M. Nieminen (additional)

References 56 Referenced 97

Geim AK, Novoselov KS (2007) Nature Mater 6:183–191 (10.1038/nmat1849) / Nature Mater by AK Geim (2007)
Meyer JC, Geim AK, Katsnelson MI, Novoselov KS, Booth TJ, Roth S (2007) Nature 446:60–63 (10.1038/nature05545) / Nature by JC Meyer (2007)
Castro Neto AH, Guinea F, Peres NMR, Novoselov KS, Geim AK (2009) Rev Mod Phys 81:109–162 (10.1103/RevModPhys.81.109) / Rev Mod Phys by AH Castro Neto (2009)
Lee C, Wei X, Kysar JW, Hone J (2008) Sci Agric 321:385–388 / Sci Agric by C Lee (2008)
Banhart F, Kotakoski J, Krasheninnikov AV (2011) ACS Nano 5:26–41 (10.1021/nn102598m) / ACS Nano by F Banhart (2011)
Appelhans DJ, Lin Z, Lusk MT (2010) Phys Rev B 82:073410 (10.1103/PhysRevB.82.073410) / Phys Rev B by DJ Appelhans (2010)
Kotakoski J, Krasheninnikov AV, Kaiser U, Meyer JC (2011) Phys Rev Lett (in press)
Wang X, Li X, Zhang L, Yoon Y, Weber PK, Wang H, Guo J, Dai H (2009) Science 324:768–771 (10.1126/science.1170335) / Science by X Wang (2009)
Reddy ALM, Srivastava A, Gowda SR, Gullapalli H, Dubey M, Ajayan PM (2010) ACS Nano 4:6337–6342 (10.1021/nn101926g) / ACS Nano by ALM Reddy (2010)
Biel B, Blase X, Triozon F, Roche S (2009) Phys Rev Lett 102:096803 (10.1103/PhysRevLett.102.096803) / Phys Rev Lett by B Biel (2009)
Zheng XH, Rungger I, Zeng Z, Sanvito S (2009) Phys Rev B 80:235426 (10.1103/PhysRevB.80.235426) / Phys Rev B by XH Zheng (2009)
Dutta S, Manna AK, Pati SK (2009) Phys Rev Lett 102:096601 (10.1103/PhysRevLett.102.096601) / Phys Rev Lett by S Dutta (2009)
Krivanek OL, Chisholm MF, Nicolosi V, Pennycook TJ, Corbin GJ, Dellby N, Murfitt MF, Own CS, Szilagyi ZS, Oxley MP, Pantelides ST, Pennycook SJ (2010) Nature 464:571–574 (10.1038/nature08879) / Nature by OL Krivanek (2010)
Pinto H, Jones R, Goss J, Briddon PR (2010) Phys Status Solidi (a) 207:2131–2136 (10.1002/pssa.201000009) / Phys Status Solidi (a) by H Pinto (2010)
Subrahmanyam K, Manna AK, Pati SK, Rao CNR (2010) Chem Phys Lett 497:70–75 (10.1016/j.cplett.2010.07.091) / Chem Phys Lett by K Subrahmanyam (2010)
Krasheninnikov AV, Lehtinen PO, Foster AS, Pyykkö P, Nieminen RM (2009) Phys Rev Lett 102:126807 (10.1103/PhysRevLett.102.126807) / Phys Rev Lett by AV Krasheninnikov (2009)
Cretu O, Krasheninnikov AV, Rodriguez-Manzo JA, Sun L, Nieminen R, Banhart F (2010) Phys Rev Lett 105:196102 (10.1103/PhysRevLett.105.196102) / Phys Rev Lett by O Cretu (2010)
Zhang W, Sun L, Xu Z, Krasheninnikov AV, Huai P, Zhu Z, Banhart F (2010) Phys Rev B 81:125425 (10.1103/PhysRevB.81.125425) / Phys Rev B by W Zhang (2010)
Hentschel M, Guinea F (2007) Phys Rev B 76:115407 (10.1103/PhysRevB.76.115407) / Phys Rev B by M Hentschel (2007)
Sengupta K, Baskaran G (2008) Phys Rev B 77:045417 (10.1103/PhysRevB.77.045417) / Phys Rev B by K Sengupta (2008)
Dóra B, Thalmeier P (2007) Phys Rev B 76:115435 (10.1103/PhysRevB.76.115435) / Phys Rev B by B Dóra (2007)
Shytov AV, Katsnelson MI, Levitov LS (2007) Phys Rev Lett 99:236801 (10.1103/PhysRevLett.99.236801) / Phys Rev Lett by AV Shytov (2007)
Bittencourt C, Felten A, Douhard B, Colomer J-F, Van Tendeloo G, Drube W, Ghijsen J, Pireaux J-J (2007) Surf Sci 601:2800–2804 (10.1016/j.susc.2006.12.045) / Surf Sci by C Bittencourt (2007)
Yazyev OV, Pasquarello A (2008) Phys Rev Lett 100:156102 (10.1103/PhysRevLett.100.156102) / Phys Rev Lett by OV Yazyev (2008)
Che G, Lakshmi BB, Fisher ER, Martin CR (1998) Nature 393:346–349 (10.1038/30694) / Nature by G Che (1998)
Sielemann R, Kobayashi Y, Yoshida Y, Gunnlaugsson HP, Weyer G (2008) Phys Rev Lett 101:137206 (10.1103/PhysRevLett.101.137206) / Phys Rev Lett by R Sielemann (2008)
Gan Y, Sun L, Banhart F (2008) Small 4:587–591 (10.1002/smll.200700929) / Small by Y Gan (2008)
Santos EJG, Ayuela A, Fagan SB, Mendes Filho J, Azevedo DL, Souza Filho AG, Sánchez-Portal D (2008) Phys Rev B 78:195420 (10.1103/PhysRevB.78.195420) / Phys Rev B by EJG Santos (2008)
Santos EJG, Ayuela A, Sánchez-Portal D (2010) New J Phys 12:053012 (10.1088/1367-2630/12/5/053012) / New J Phys by EJG Santos (2010)
Rodriguez-Manzo JA, Cretu O, Banhart F (2010) ACS Nano 4:3422–3428 (10.1021/nn100356q) / ACS Nano by JA Rodriguez-Manzo (2010)
Kresse G, Furthmüller J (1996) Comp Mat Sci 6:15 (10.1016/0927-0256(96)00008-0) / Comp Mat Sci by G Kresse (1996)
Blöchl PE (1994) Phys Rev B 50:17953–17979 (10.1103/PhysRevB.50.17953) / Phys Rev B by PE Blöchl (1994)
Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865–3868 (10.1103/PhysRevLett.77.3865) / Phys Rev Lett by JP Perdew (1996)
Monkhorst HJ, Pack JD (1976) Phys Rev B 13:5188 (10.1103/PhysRevB.13.5188) / Phys Rev B by HJ Monkhorst (1976)
Krasheninnikov AV, Banhart F (2007) Nature Mater 6:723–733 (10.1038/nmat1996) / Nature Mater by AV Krasheninnikov (2007)
Lehtinen PO, Foster AS, Ma Y, Krasheninnikov AV, Nieminen RM (2004) Phys Rev Lett 93:187202 (10.1103/PhysRevLett.93.187202) / Phys Rev Lett by PO Lehtinen (2004)
El-Barbary AA, Telling RH, Ewels CP, Heggie MI, Briddon PR (2003) Phys Rev B 68:144107 (10.1103/PhysRevB.68.144107) / Phys Rev B by AA El-Barbary (2003)
Krasheninnikov AV, Nordlund K, Sirviö M, Salonen E, Keinonen J (2001) Phys Rev B 63:245405 (10.1103/PhysRevB.63.245405) / Phys Rev B by AV Krasheninnikov (2001)
Krasheninnikov AV (2001) Sol Stat Comm 118:361–365 (10.1016/S0038-1098(01)00109-0) / Sol Stat Comm by AV Krasheninnikov (2001)
Krasheninnikov AV, Banhart F, Li JX, Foster AS, Nieminen R (2005) Phys Rev B 72:125428 (10.1103/PhysRevB.72.125428) / Phys Rev B by AV Krasheninnikov (2005)
Krasheninnikov AV, Lehtinen PO, Foster AS, Nieminen RM (2006) Chem Phys Lett 418:132–136 (10.1016/j.cplett.2005.10.106) / Chem Phys Lett by AV Krasheninnikov (2006)
Lee G, Wang CZ, Yoon E, Hwang N, Kim D, Ho KM (2005) Phys Rev Lett 95:205501 (10.1103/PhysRevLett.95.205501) / Phys Rev Lett by G Lee (2005)
Scarpa F, Adhikari S, Phani AS (2010) Nanotechnology 20:065709 (10.1088/0957-4484/20/6/065709) / Nanotechnology by F Scarpa (2010)
Lehtinen PO, Foster AS, Ayuela A, Krasheninnikov A, Nordlund K, Nieminen RM (2003) Phys Rev Lett 91:017202 (10.1103/PhysRevLett.91.017202) / Phys Rev Lett by PO Lehtinen (2003)
Krasheninnikov AV, Nordlund K, Lehtinen PO, Foster AS, Ayuela A, Nieminen RM (2004) Carbon 42:1021–1025 (10.1016/j.carbon.2003.12.025) / Carbon by AV Krasheninnikov (2004)
Schedin F, Geim AK, Morozov SV, Hill EW, Blake P, Katsnelson MI, Novoselov KS (2007) Nature Mater 6:652–655 (10.1038/nmat1967) / Nature Mater by F Schedin (2007)
Repp J, Moresco F, Meyer G, Rieder K-H (2000) Phys Rev Lett 85:2981–2984 (10.1103/PhysRevLett.85.2981) / Phys Rev Lett by J Repp (2000)
Hornekær L, Rauls E, Xu W, Šljivančanin Ž, Otero R, Stensgaard I, Lægsgaard E, Hammer B, Besenbacher F (2006) Phys Rev Lett 97:186102 (10.1103/PhysRevLett.97.186102) / Phys Rev Lett by L Hornekær (2006)
Buchs G, Krasheninnikov AV, Ruffieux P, Gröning P, Foster AS, Nieminen RM, Gröning O (2007) New J Phys 9:275–287 (10.1088/1367-2630/9/8/275) / New J Phys by G Buchs (2007)
Cheianov VV, Fal’ko VI (2006) Phys Rev Lett 97:226801 (10.1103/PhysRevLett.97.226801) / Phys Rev Lett by VV Cheianov (2006)
Santos EJG, Sánchez-Portal D, Ayuela A (2010) Phys Rev B 81:125433 (10.1103/PhysRevB.81.125433) / Phys Rev B by EJG Santos (2010)
Krasheninnikov AV, Miyamoto Y, Tománek D (2007) Phys Rev Lett 99:016104 (10.1103/PhysRevLett.99.016104) / Phys Rev Lett by AV Krasheninnikov (2007)
Compagnini G, Giannazzo F, Sonde S, Raineri V, Rimini E (2009) Carbon 47:3201–3207 (10.1016/j.carbon.2009.07.033) / Carbon by G Compagnini (2009)
Åström JA, Krasheninnikov AV, Nordlund K (2004) Phys Rev Lett 93:215503, ibid. 94, 029902(E) (2005) (10.1103/PhysRevLett.94.029902)
Lemme MC, Bell DC, Williams JR, Stern LA, Baugher BWH, Jarillo-Herrero P, Marcus CM (2009) ACS Nano 3:2674–2676 (10.1021/nn900744z) / ACS Nano by MC Lemme (2009)
Krasheninnikov AV, Nordlund K (2010) J Appl Phys 107:071301 (10.1063/1.3318261) / J Appl Phys by AV Krasheninnikov (2010)

Dates

Type	When
Created	14 years, 5 months ago (March 11, 2011, 1:27 a.m.)
Deposited	6 years, 2 months ago (June 9, 2019, 2:17 a.m.)
Indexed	2 days, 13 hours ago (Aug. 29, 2025, 5:48 a.m.)
Issued	14 years, 5 months ago (March 12, 2011)
Published	14 years, 5 months ago (March 12, 2011)
Published Online	14 years, 5 months ago (March 12, 2011)
Published Print	14 years, 2 months ago (June 1, 2011)

Funders 0

None

BibTeX

@article{Krasheninnikov_2011, title={Attractive interaction between transition-metal atom impurities and vacancies in graphene: a first-principles study}, volume={129}, ISSN={1432-2234}, url={http://dx.doi.org/10.1007/s00214-011-0910-3}, DOI={10.1007/s00214-011-0910-3}, number={3–5}, journal={Theoretical Chemistry Accounts}, publisher={Springer Science and Business Media LLC}, author={Krasheninnikov, A. V. and Nieminen, R. M.}, year={2011}, month=mar, pages={625–630} }

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