Morphology and structure of Ti-doped diamond films prepared by microwave plasma chemical vapor deposition

Liu, Xuejie; Pan, Lu; Wang, Hongchao; Ren, Yuan; Sun, Shuhui; Jia, Huiling

doi:10.1016/j.apsusc.2018.02.180

Cited by 24 publications

(13 citation statements)

References 49 publications

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“…Doping the diamond with boron, silicon, nitrogen, phosphorus, lithium or europium allows the semiconductor [6] to form luminescent centers [3,7] or a nitrogen-vacancy (NV) center [8,9]. Additionally, experimental investigations reported that the introduction of impurities into the plasma can also affect the growth rate [10], surface morphology, quality, tribological properties or mechanical properties of diamond film [11][12][13][14][15][16][17][18][19]. However, the influence mechanism beneath the experimental phenomenon is not clear yet.…”

Section: Introductionmentioning

confidence: 99%

The Influence of B, N and Si Doping on the CH3 Adsorption on the Diamond Surface Based on DFT Calculations

2019

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To better understand the influence mechanism of boron, nitrogen and silicon dopants on the growth of chemical vapor deposition (CVD) diamond film, density functional calculations have been performed to reveal the different impact of the impurities on the CH3 adsorption on diamond surface. The substituted doping and radical doping of diamond (111) and (100) − 2 × 1 surface are both considered. The calculation results indicate that the CH3 radicals are hardly adsorbed on nitrogen atoms and thus may cause vacancy in the diamond lattice easily. Boron substituted doping will disfavor the adsorption of CH3 due to the lacking of valence electron. However, the empty p orbitals of boron atom will help the chemical adsorbing of CH3 radicals. The substituted silicon doping has little influence on the CH3 adsorption, as Si atom has the same outer valence electron structure with C atom. In the case of radical doping, the adsorption energy of CH3 will be reduced due to the steric hindrance between NH2 or SiH3 with CH3. The adsorption energy can be slightly enhanced when BH2 radical is pre-adsorbed on diamond (111) surface. However, the BH2 pre-adsorbed on diamond (100) − 2 × 1 surface may interact with surface radical carbon site and result in a large reduction of CH3 adsorption energy. Thus, the boron doping may hinder the formation of the (100) facet during the CVD diamond deposition under a certain condition.

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Section: Introductionmentioning

confidence: 99%

The Influence of B, N and Si Doping on the CH3 Adsorption on the Diamond Surface Based on DFT Calculations

2019

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“…For diamond tools with an HEA matrix, improving the wettability between the HEA matrix and diamond particles and effectively controlling the reaction products of the HEA/diamond interface are important for improving the interface bonding and overall application performance of diamond tools. Ti, Cr, Mo, V and other strong carbide-forming elements were always selected as coating materials [13][14][15], which can form a carbide layer on the surface of diamond particles to realize metallurgical bonding between diamond and the matrix. Meanwhile, the direct contact between Fe, Co, Ni and diamond particles can be avoided to prevent the formation of hard and brittle carbides at realize metallurgical bonding between diamond and the matrix.…”

Section: Introductionmentioning

confidence: 99%

Effect of Ti/Ni Coating of Diamond Particles on Microstructure and Properties of High-Entropy Alloy/Diamond Composites

Zhang

Peng

et al. 2019

Entropy

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In this study, an effective way of applying Ti/Ni deposited coating to the surface of diamond single crystal particles by magnetron sputtering was proposed and novel high-entropy alloy (HEA)/diamond composites were prepared by spark plasma sintering (SPS). The results show that the interfacial bonding state of the coated diamond composite is obviously better than that of the uncoated diamond composite. Corresponding mechanical properties such as hardness, density, transverse fracture strength and friction properties of the coated diamond composite were also found to be better than those of the uncoated diamond composite. The effects of interface structure and defects on the mechanical properties of HEA/diamond composites were investigated. The research directions for further improving the structure and properties of high-entropy alloy/diamond composites were proposed.

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“…The first-principles calculations in our previous studies were conducted to study the doped diamond films and the adsorption and migration of Si, boron (B), yttrium (Y), niobium (Nb), and nitrogen (N) atoms on the diamond (001) surface [16][17][18][19][20][21][22][23]. Results revealed the different features of B, Si, and N dopants in the doped diamond film growth.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Study of Sulphur Atoms’ Adsorption and Migration Behaviors on Diamond (001) Surface

Liu

Sun

et al. 2019

Coatings

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The adsorption and migration of sulphur (S) atoms on the diamond (001) surface were investigated through first principles calculations to discover the inherent law in S-doped diamond film growth. Results indicated that deposited S atoms could abstract the hydrogen atom on the surface. The adsorption energies were in a range of 2.47 to 5.5 eV when S atoms were deposited on the hydrogen terminated surface or the surface with open radical sites (ORSs). The S atom could migrate on the surface of the 3ORS slabs and the energy barrier was approximately 1.35 eV. The calculations of the projected density of states and the analysis of the magnetic moments presented an interesting result, which demonstrated the evolving phenomena in S-doped diamond film growth and discovered the inherent laws. On the 2ORS slabs, the magnetic moment of the S atom became 0.000 μB after bonding with the two carbon atoms. In such case, a new doped C atom combined with the S atom with a triple bond, and then the C–S molecule was desorbed from the surface. The abstraction of the adsorbed S atom results from the fact that S atoms have six electrons in their outermost electron shell. This finding revealed the reason behind the low S incorporation and the growth rate decrease in S-doped diamond film deposition. This discovery also indicated that atoms with six electrons in their outermost electron shell might hardly be doped into the diamond films during the deposition process.

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Morphology and structure of Ti-doped diamond films prepared by microwave plasma chemical vapor deposition

Cited by 24 publications

References 49 publications

The Influence of B, N and Si Doping on the CH3 Adsorption on the Diamond Surface Based on DFT Calculations

The Influence of B, N and Si Doping on the CH3 Adsorption on the Diamond Surface Based on DFT Calculations

Effect of Ti/Ni Coating of Diamond Particles on Microstructure and Properties of High-Entropy Alloy/Diamond Composites

Theoretical Study of Sulphur Atoms’ Adsorption and Migration Behaviors on Diamond (001) Surface

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