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Research Article | Open Access

From ultra-low friction to superlubricity state of black phosphorus: Enabled by the critical oxidation and load

Qiang LI1,2, Fenghua SU1,2( ), Yanjun CHEN1, Jianfang SUN1
School of Mechanical & Automotive Engineering, South China University of Technology, Guangzhou 510641, China
Guangdong Provincial Key Laboratory of Technique and Equipment for Macromolecular Advanced Manufacturing, South China University of Technology, Guangzhou 510640, China
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Abstract

Based on the density functional theory (DFT), we investigate the friction properties of inevitable oxidized black phosphorus (o-BP). o-BP with the weaker interlayer adhesion exhibits their great potential as a solid lubricant. At the zero load, the friction property of o-BP is adjusted by its oxidation degree. Expressly, ultra-low friction of P4O2 (50% oxidation, O : P = 2 : 4 = 50%) is obtained, which is attributed to the upper O atoms with lower sliding resistance in the O channel formed by lower layer O atoms. More attractive, we observe superlubricity behavior of o-BP at the critical load/distance due to the flattening potential energy surface (PES). The flattening PES is controlled by the electrostatic role for the high-load (P4O3, O : P = 3 : 4 = 75%), and by the electrostatic and dispersion roles for the low-load (P4O2). Distinctly, the transform from ultra-low friction to superlubricity state of black phosphorus (BP) can be achieved by critical oxidation and load, which shows an important significance in engineering application. In addition, negative friction behavior of o-BP is a general phenomenon (Z > Zmin, Zmin is the interlayer distances between the outermost P atoms of minimum load.), while its surface-surface model is different from the fold mechanism of the tip-surface model (Z0 < Z < Zmin, Z0 is the interlayer distances between the outermost P atoms of equilibrium state.). Thus, this phenomenon cannot be captured due to the jump effect with instability of the atomic force microscopy (AFM) (Z > Zmin). In summary, o-BP improves the friction performance and reduces the application limitation, comparing to graphene (Gr), MoS2, and their oxides.

Keywords

oxidized black phosphorus (o-BP)ultra-low frictionsuperlubricitycritical load/distancefirst-principles

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References

[1]
Dašić P, Franek F, Assenova E, Radovanović M. International standardization and organizations in the field of tribology. Ind Lubr Tribol 55(6): 287–291 (2003)
Crossref Google Scholar
[2]
Jost H P. Tribology micro & macro economics: A road to economic savings. Tribol Lubr Technol 61(10): 18-22 (2005)
Google Scholar
[3]
Xia Y Q, Xu X C, Feng X, Chen G X. Leaf-surface wax of desert plants as a potential lubricant additive. Friction 3(3): 208–213 (2015)
Crossref Google Scholar
[4]
Chen M, Briscoe W H, Armes S P, Klein J. Lubrication at physiological pressures by polyzwitterionic brushes. Science 323(5922): 1698–1701 (2009)
Crossref Google Scholar
[5]
Chen M, Kato K, Adachi K. Friction and wear of self-mated SiC and Si3N4 sliding in water. Wear 250(1–12): 246–255 (2001)
Crossref Google Scholar
[6]
Matta C, Joly-Pottuz L, de Barros Bouchet M I, Martin J M, Kano M, Zhang Q, Goddard W A. Superlubricity and tribochemistry of polyhydric alcohols. Phys Rev B 78(8): 085436 (2008)
Crossref Google Scholar
[7]
Deng M M, Zhang C H, Li J J, Ma L R, Luo J B. Hydrodynamic effect on the superlubricity of phosphoric acid between ceramic and sapphire. Friction 2(2): 173–181 (2014)
Crossref Google Scholar
[8]
Donnet C, Erdemir A. Historical developments and new trends in tribological and solid lubricant coatings. Surf Coat Technol 180–181: 76–84 (2004)
Crossref Google Scholar
[9]
Roberts E W. Thin solid lubricant films in space. Tribol Int 23(2): 95–104 (1990)
Crossref Google Scholar
[10]
Roberts E W. Space tribology: Its role in spacecraft mechanisms. J Phys D Appl Phys 45(50): 503001 (2012)
Crossref Google Scholar
[11]
Sinclair R C, Suter J L, Coveney P V. Graphene-graphene interactions: Friction, superlubricity, and exfoliation. Adv Mater 30(13): e1705791 (2018)
Crossref Google Scholar
[12]
Song I, Park C, Choi H C. Synthesis and properties of molybdenum disulphide: From bulk to atomic layers. RSC Adv 5(10): 7495–7514 (2015)
Crossref Google Scholar
[13]
Vilhena J G, Pimentel C, Pedraz P, Luo F, Serena P A, Pina C M, Gnecco E, Pérez R. Atomic-scale sliding friction on graphene in water. ACS Nano 10(4): 4288–4293 (2016)
Crossref Google Scholar
[14]
Donnet C, Martin J M, Le Mogne T, Belin M. Super-low friction of MoS2 coatings in various environments. Tribol Int 29(2): 123–128 (1996)
Crossref Google Scholar
[15]
Wang L F, Ma T B, Hu Y Z, Wang H. Atomic-scale friction in graphene oxide: An interfacial interaction perspective from first-principles calculations. Phys Rev B 86(12): 125436 (2012)
Crossref Google Scholar
[16]
Byun I S, Yoon D, Choi J S, Hwang I, Lee D H, Lee M J, Kawai T, Son Y W, Jia Q X, Cheong H, et al. Nanoscale lithography on monolayer graphene using hydrogenation and oxidation. ACS Nano 5(8): 6417–6424 (2011)
Crossref Google Scholar
[17]
Zhang Y W, Chen X Z, Arramel, Augustine K B, Zhang P, Jiang J Z, Wu Q, Li N. Atomic-scale superlubricity in Ti2CO2@MoS2 layered heterojunctions interface: A first principles calculation study. ACS Omega 6(13): 9013–9019 (2021)
Crossref Google Scholar
[18]
Wu M H, Fu H H, Zhou L, Yao K L, Zeng X C. Nine new phosphorene polymorphs with non-honeycomb structures: A much extended family. Nano Lett 15(5): 3557–3562 (2015)
Crossref Google Scholar
[19]
Service R F. Beyond graphene. Science 348(6234): 490–492 (2015)
Crossref Google Scholar
[20]
Bai L C, Liu B, Srikanth N, Tian Y, Zhou K. Nano-friction behavior of phosphorene. Nanotechnology 28(35): 355704 (2017)
Crossref Google Scholar
[21]
Losi G, Restuccia P, Righi M C. Superlubricity in phosphorene identified by means of ab initio calculations. 2D Mater 7(2): 025033 (2020)
Crossref Google Scholar
[22]
Walia S, Balendhran S, Ahmed T, Singh M, El-Badawi C, Brennan M D, Weerathunge P, Karim M N, Rahman F, Rassell A, et al. Ambient protection of few-layer black phosphorus via sequestration of reactive oxygen species. Adv Mater 29(27): 1700152 (2017)
Crossref Google Scholar
[23]
Edmonds M T, Tadich A, Carvalho A, Ziletti A, O’Donnell K M, Koenig S P, Coker D F, Özyilmaz B, Neto A H C, Fuhrer M S. Creating a stable oxide at the surface of black phosphorus. ACS Appl Mater Inter 7(27): 14557–14562 (2015)
Crossref Google Scholar
[24]
Zhou Q H, Chen Q, Tong Y L, Wang J L. Light-induced ambient degradation of few-layer black phosphorus: Mechanism and protection. Angew Chem Int Ed 55(38): 11437–11441 (2016)
Crossref Google Scholar
[25]
Ren X Y, Yang X, Xie G X, He F, Wang R, Zhang C H, Guo D, Luo J B. Superlubricity under ultrahigh contact pressure enabled by partially oxidized black phosphorus nanosheets. Npj 2D Mater Appl 5: 44 (2021)
Crossref Google Scholar
[26]
Liu Y F, Li J F, Li J J, Yi S, Ge X Y, Zhang X, Luo J B. Shear-induced interfacial structural conversion triggers macroscale superlubricity: From black phosphorus nanoflakes to phosphorus oxide. ACS Appl Mater Inter 13(27): 31947–31956 (2021)
Crossref Google Scholar
[27]
Wu S, He F, Xie G X, Bian Z L, Luo J B, Wen S Z. Black phosphorus: Degradation favors lubrication. Nano Lett 18(9): 5618–5627 (2018)
Crossref Google Scholar
[28]
Wu S, He F, Xie G X, Bian Z L, Ren Y L, Liu X Y, Yang H J, Guo D, Zhang L, Wen S Z, et al. Super-slippery degraded black phosphorus/silicon dioxide interface. ACS Appl Mater Inter 12(6): 7717–7726 (2020)
Crossref Google Scholar
[29]
Clark S J, Segall M D, Pickard C J, Hasnip P J, Probert M I J, Refson K, Payne M C. First principles methods using CASTEP. Z Krist-Cryst Mater 220(5–6): 567–570 (2005)
Crossref Google Scholar
[30]
Kohn W, Sham L J. Self-consistent equations including exchange and correlation effects. Phys Rev 140(4A): A1133–A1138 (1965)
Crossref Google Scholar
[31]
Perdew J P, Burke K, Ernzerhof M. Generalized gradient approximation made simple. Phys Rev Lett 77(18): 3865–3868 (1996)
Crossref Google Scholar
[32]
Tkatchenko A, Scheffler M. Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data. Phys Rev Lett 102(7): 073005 (2009)
Crossref Google Scholar
[33]
Zhao B, Shang C, Qi N, Chen Z Y, Chen Z Q. Stability of defects in monolayer MoS2 and their interaction with O2 molecule: A first-principles study. Appl Surf Sci 412: 385–393 (2017)
Crossref Google Scholar
[34]
Li Q, Su F H, Tang G B, Xu X, Chen Y J, Sun J F. Atomic-scale friction of black phosphorus from first-principles calculations: Insensitivity of friction under the high-load. Tribol Int 172: 107590 (2022)
Crossref Google Scholar
[35]
Mate C M, McClelland G M, Erlandsson R, Chiang S. Atomic-scale friction of a tungsten tip on a graphite surface. Phys Rev Lett 59(17): 1942–1945 (1987)
Crossref Google Scholar
[36]
Zhong W, Tománek D. First-principles theory of atomic-scale friction. Phys Rev Lett 64(25): 3054–3057 (1990)
Crossref Google Scholar
[37]
Sun J H, Zhang Y N, Feng Y Q, Lu Z B, Xue Q J, Du S Y, Wang L P. How vertical compression triggers lateral interlayer slide for metallic molybdenum disulfide? Tribol Lett 66(1): 21 (2018)
Crossref Google Scholar
[38]
Ziletti A, Carvalho A, Campbell D K, Coker D F, Castro Neto A H. Oxygen defects in phosphorene. Phys Rev Lett 114(4): 046801 (2015)
Crossref Google Scholar
[39]
Koenig S P, Doganov R A, Schmidt H, Castro Neto A H, Özyilmaz B. Electric field effect in ultrathin black phosphorus. Appl Phys Lett 104(10): 103106 (2014)
Crossref Google Scholar
[40]
Favron A, Gaufrès E, Fossard F, Phaneuf-L'Heureux A L, Tang N Y W, Lévesque P L, Loiseau A, Leonelli R, Francoeur S, Martel R. Photooxidation and quantum confinement effects in exfoliated black phosphorus. Nat Mater 14(8): 826–832 (2015)
Crossref Google Scholar
[41]
Peng X H, Wei Q. Chemical scissors cut phosphorene nanostructures. Mater Res Express 1(4): 045041 (2014)
Crossref Google Scholar
[42]
Brent J R, Savjani N, Lewis E A, Haigh S J, Lewis D J, O’Brien P. Production of few-layer phosphorene by liquid exfoliation of black phosphorus. Chem Commun 50(87): 13338–13341 (2014)
Crossref Google Scholar
[43]
Wang G X, Pandey R, Karna S P. Effects of extrinsic point defects in phosphorene: B, C, N, O, and F adatoms. Appl Phys Lett 106(17): 173104 (2015)
Crossref Google Scholar
[44]
Wang G X, Pandey R, Karna S P. Phosphorene oxide: Stability and electronic properties of a novel two-dimensional material. Nanoscale 7(2): 524–531 (2015)
Crossref Google Scholar
[45]
Yan J A, Chou M Y. Oxidation functional groups on graphene: Structural and electronic properties. Phys Rev B 82(12): 125403 (2010)
Crossref Google Scholar
[46]
Wang C Q, Li H S, Zhang Y S, Sun Q, Jia Y. Effect of strain on atomic-scale friction in layered MoS2. Tribol Int 77: 211–217 (2014)
Crossref Google Scholar
[47]
Fujisawa S, Kishi E, Sugawara Y, Morita S. Atomic-scale friction observed with a two-dimensional frictional-force microscope. Phys Rev B 51(12): 7849–7857 (1995)
Crossref Google Scholar
[48]
Cui Z Y, Xie G X, He F, Wang W Q, Guo D, Wang W. Atomic-scale friction of black phosphorus: Effect of thickness and anisotropic behavior. Adv Mater Interfaces 4(23): 1700998 (2017)
Crossref Google Scholar
[49]
Righi M C, Ferrario M. Pressure induced friction collapse of rare gas boundary layers sliding over metal surfaces. Phys Rev Lett 99(17): 176101 (2007)
Crossref Google Scholar
[50]
Tang W, Sanville E, Henkelman G. A grid-based Bader analysis algorithm without lattice bias. J Phys Condens Matter 21(8): 084204 (2009)
Crossref Google Scholar
[51]
Liang T, Sawyer W G, Perry S S, Sinnott S B, Phillpot S R. First-principles determination of static potential energy surfaces for atomic friction in MoS2 and MoO3. Phys Rev B 77(10): 104105 (2008)
Crossref Google Scholar
[52]
Sun J H, Zhang Y N, Lu Z B, Li Q Y, Xue Q J, Du S Y, Pu J B, Wang L P. Superlubricity enabled by pressure-induced friction collapse. J Phys Chem Lett 9(10): 2554–2559 (2018)
Crossref Google Scholar
[53]
Grimme S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J Comput Chem 27(15): 1787–1799 (2006)
Crossref Google Scholar
[54]
Deng Z, Smolyanitsky A, Li Q Y, Feng X Q, Cannara R J. Adhesion-dependent negative friction coefficient on chemically modified graphite at the nanoscale. Nat Mater 11(12): 1032–1037 (2012)
Crossref Google Scholar
[55]
Liu B T, Wang J, Zhao S J, Qu C Y, Liu Y, Ma L R, Zhang Z H, Liu K H, Zheng Q S, Ma M. Negative friction coefficient in microscale graphite/mica layered heterojunctions. Sci Adv 6(16): eaaz6787 (2020)
Crossref Google Scholar
[56]
Lee C G, Li Q Y, Kalb W, Liu X Z, Berger H, Carpick R W, Hone J. Frictional characteristics of atomically thin sheets. Science 328(5974): 76–80 (2010)
Crossref Google Scholar
[57]
Cappella B, Dietler G. Force-distance curves by atomic force microscopy. Surf Sci Rep 34(1–3): 1–3, 5–104 (1999)
Crossref Google Scholar
[58]
Sun J H, Zhang Y N, Lu Z B, Xue Q J, Wang L P. Attraction induced frictionless sliding of rare gas monolayer on metallic surfaces: An efficient strategy for superlubricity. Phys Chem Chem Phys 19: 11026–11031 (2017)
Crossref Google Scholar
Friction
Volume 11 Issue 10,
October 2023
Pages 1829-1844
DOI: 10.1007/s40544-022-0699-1
Cite this article:
LI Q, SU F, CHEN Y, et al. From ultra-low friction to superlubricity state of black phosphorus: Enabled by the critical oxidation and load. Friction, 2023, 11(10): 1829-1844. https://doi.org/10.1007/s40544-022-0699-1

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Received: 08 July 2022
Revised: 08 September 2022
Accepted: 23 September 2022
Published: 25 March 2023
© The author(s) 2022.

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