TY - JOUR
T1 - Effect of surface termination on superlow friction of diamond film
T2 - A theoretical study
AU - Morita, Yusuke
AU - Shibata, Toshiaki
AU - Onodera, Tasuku
AU - Sahnoun, Riadh
AU - Koyama, Michihisa
AU - Tsuboi, Hideyuki
AU - Hatakeyama, Nozomu
AU - Endou, Akira
AU - Takaba, Hiromitsu
AU - Kubo, Momoji
AU - Del Carpio, Carlos A.
AU - Miyamoto, Akira
N1 - Copyright:
Copyright 2009 Elsevier B.V., All rights reserved.
PY - 2008/4/25
Y1 - 2008/4/25
N2 - We have applied molecular dynamics simulation and density functional theory calculations to analyze the effects of H and OH terminations on the frictional properties of diamond films at the atomistic and electronic levels. Molecular dynamics simulations were carried out for H-, OH-, and non-terminated diamond surfaces against an iron surface. Results of molecular dynamics simulations show that the frictional force is clearly decreased by the H or OH termination on the diamond surfaces. Moreover, results of density functional calculations show that a covalent bond is formed between Fe and C, while H- or OH-terminated diamond surfaces interact repulsively with an iron surface owing to antibonding interactions. We concluded that this interaction change between iron and diamond surfaces is the major contributing factor for achieving a low friction in H- or OH-terminated diamond.
AB - We have applied molecular dynamics simulation and density functional theory calculations to analyze the effects of H and OH terminations on the frictional properties of diamond films at the atomistic and electronic levels. Molecular dynamics simulations were carried out for H-, OH-, and non-terminated diamond surfaces against an iron surface. Results of molecular dynamics simulations show that the frictional force is clearly decreased by the H or OH termination on the diamond surfaces. Moreover, results of density functional calculations show that a covalent bond is formed between Fe and C, while H- or OH-terminated diamond surfaces interact repulsively with an iron surface owing to antibonding interactions. We concluded that this interaction change between iron and diamond surfaces is the major contributing factor for achieving a low friction in H- or OH-terminated diamond.
KW - Density functional theory
KW - Diamond-like carbon
KW - H-terminated diamond
KW - Molecular dynamics
KW - OH-terminated diamond
KW - Superlow friction
KW - Surface termination
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U2 - 10.1143/JJAP.47.3032
DO - 10.1143/JJAP.47.3032
M3 - Article
AN - SCOPUS:54249112353
VL - 47
SP - 3032
EP - 3035
JO - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
JF - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
SN - 0021-4922
IS - 4 PART 2
ER -