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

Qiang LI; Fenghua SU; Yanjun CHEN; Jianfang SUN

doi:10.1007/s40544-022-0699-1

Friction 2023, 11(10): 1829-1844 https://doi.org/10.1007/s40544-022-0699-1

Research Article |

Open Access | Issue | Published: 25 March 2023

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

Show Author's Information Hide Author's Information Qiang LI^{¹^,²}, Fenghua SU^{¹^,²}(

), Yanjun CHEN^¹, Jianfang SUN^¹

1 School of Mechanical & Automotive Engineering, South China University of Technology, Guangzhou 510641, China

2 Guangdong Provincial Key Laboratory of Technique and Equipment for Macromolecular Advanced Manufacturing, South China University of Technology, Guangzhou 510640, China

Keywords:

superlubricity, first-principles, ultra-low friction, oxidized black phosphorus (o-BP), critical load/distance

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

Download citation

EndNote(RIS)

BibTeX

303

Views

Downloads

Citations

Crossref

WoS

Scopus

CSCD

Abstract Full text Electronic supplementary material About this article

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 > Z_min, Z_min 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 < Z_min, 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 > Z_min). In summary, o-BP improves the friction performance and reduces the application limitation, comparing to graphene (Gr), MoS₂, and their oxides.

Full text

Abstract

Full text

Outline

Electronic supplementary material

About this article

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

Show Author's information Hide Author's Information Qiang LI^{¹^,²}, Fenghua SU^{¹^,²}(

), Yanjun CHEN^¹, Jianfang SUN^¹

1 School of Mechanical & Automotive Engineering, South China University of Technology, Guangzhou 510641, China

2 Guangdong Provincial Key Laboratory of Technique and Equipment for Macromolecular Advanced Manufacturing, South China University of Technology, Guangzhou 510640, China

Abstract

Keywords: superlubricity, first-principles, ultra-low friction, oxidized black phosphorus (o-BP), critical load/distance

References(58)

[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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI Google Scholar

[9]

Roberts E W. Thin solid lubricant films in space. Tribol Int 23(2): 95–104 (1990)

DOI Google Scholar

[10]

Roberts E W. Space tribology: Its role in spacecraft mechanisms. J Phys D Appl Phys 45(50): 503001 (2012)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI Google Scholar

[19]

Service R F. Beyond graphene. Science 348(6234): 490–492 (2015)

DOI Google Scholar

[20]

Bai L C, Liu B, Srikanth N, Tian Y, Zhou K. Nano-friction behavior of phosphorene. Nanotechnology 28(35): 355704 (2017)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI Google Scholar

[30]

Kohn W, Sham L J. Self-consistent equations including exchange and correlation effects. Phys Rev 140(4A): A1133–A1138 (1965)

DOI Google Scholar

[31]

Perdew J P, Burke K, Ernzerhof M. Generalized gradient approximation made simple. Phys Rev Lett 77(18): 3865–3868 (1996)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI Google Scholar

[36]

Zhong W, Tománek D. First-principles theory of atomic-scale friction. Phys Rev Lett 64(25): 3054–3057 (1990)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI Google Scholar

[41]

Peng X H, Wei Q. Chemical scissors cut phosphorene nanostructures. Mater Res Express 1(4): 045041 (2014)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI 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)

DOI Google Scholar

Electronic supplementary material

File

40544_0699_ESM.pdf (3.6 MB)

About this article

Publication history

Acknowledgements

Rights and permissions

Publication history

Received: 08 July 2022

Revised: 08 September 2022

Accepted: 23 September 2022

Published: 25 March 2023

Issue date: October 2023

Copyright

Acknowledgements

The authors were grateful to the financial support from the National Natural Science Foundation of China (52175168), the Natural Science Foundation of Guangdong Province (2021A1515012266), China, and Guangdong Basic and Applied Basic Research Foundation (2022A1515010513), China.

Rights and permissions

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution, and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made.

The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.

To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.