Investigation on the interface characteristic between WC(001) and diamond(111) by first-principles calculation

[1]  Jibo Hu,et al.  Optimization of Deposition Parameters for MPCVD Diamond Coatings Grown on WC-Co Substrates Using Taguchi and Analytic Hierarchy Process Method , 2021 .

[2]  M. Pang,et al.  The bonding characteristics of the Cu(111)/WC(0001) interface: An insight from first-principle calculations , 2021 .

[3]  M. Pang,et al.  Investigation on the interface characteristic between ZrC (111) and diamond (111) surfaces by first-principles calculation , 2021 .

[4]  F. Sun,et al.  Synthesis and evaluation of high-performance diamond films with multilayer structure on printed circuit board drills , 2021 .

[5]  X. Ren,et al.  Investigation on the interface characteristic between TiN and diamond by first-principles calculation , 2020 .

[6]  H. Fu,et al.  Adhesion at cerium doped metal-ceramic α-Fe/WC interface: A first-principles calculation , 2019, Journal of Rare Earths.

[7]  Yanzhao Wu,et al.  Adsorption and migration of selenium atoms on a hydrogen-terminated diamond (0 0 1) surface: A first-principles study , 2019, Computational Materials Science.

[8]  Jihua Huang,et al.  First-principles calculations on wetting interface between Ag-Cu-Ti filler metal and SiC ceramic: Ag (1 1 1)/SiC (1 1 1) interface and Ag (1 1 1)/TiC (1 1 1) interface , 2018, Applied Surface Science.

[9]  F. Sun,et al.  Co evolutions for WC–Co with different Co contents during pretreatment and HFCVD diamond film growth processes , 2018 .

[10]  Shaoxian Zheng,et al.  Adhesive transfer at copper/diamond interface and adhesion reduction mechanism with fluorine passivation: A first-principles study , 2018 .

[11]  Changfeng Chen,et al.  Diffusion coefficient of hydrogen interstitial atom in α-Fe, γ-Fe and ε-Fe crystals by first-principle calculations , 2017 .

[12]  X. Tan,et al.  Adsorption and migration behavior of Si atoms on the hydrogen-terminated diamond (001) surface: A first principles study , 2017 .

[13]  Dongyu Fan,et al.  First-principles investigation on the electronic property and bonding configuration of NbC (111)/NbN (111) interface , 2016 .

[14]  Caixia Wang,et al.  Investigation on WC/TiC interface relationship in wear-resistant coating by first-principles , 2016 .

[15]  Jinhui Peng,et al.  Optimization of Growth Parameters for Diamond Films Grown by MPCVD Using Response Surface Methodology , 2016 .

[16]  F. Ladouceur,et al.  Role of AlN Polarity in the Band Alignment of AlN(0001)/Diamond(100) Heterojunctions: A First-Principles Study. , 2016, The journal of physical chemistry letters.

[17]  O. Auciello,et al.  Synthesis and characterization of microcrystalline diamond to ultrananocrystalline diamond films via Hot Filament Chemical Vapor Deposition for scaling to large area applications , 2016 .

[18]  H. Gong,et al.  First-principles study of W–TiC interface cohesion , 2015 .

[19]  B. Shen,et al.  Effects of deposition parameters on HFCVD diamond films growth on inner hole surfaces of WC–Co substrates , 2015 .

[20]  Y. Koide,et al.  Thermal stabilization and deterioration of the WC/p‐type diamond (100) Schottky‐barrier interface , 2014 .

[21]  Jun Liu,et al.  First-principles study of boron, carbon and nitrogen adsorption on WC(1 0 0) surface , 2012 .

[22]  F. Ancilotto,et al.  Adsorption of rare-gas atoms on Cu(111) and Pb(111) surfaces by van der Waals corrected density functional theory , 2011, 1112.5056.

[23]  Zhiming Yu,et al.  Fretting wear and electrochemical corrosion of well-adhered CVD diamond films deposited on steel substrates with a WC-Co interlayer , 2010 .

[24]  M. L. Muolo,et al.  Ab initio simulations of the Ag(111)/Al2O3 interface at intermediate oxygen partial pressures , 2010 .

[25]  Y. H. Chen,et al.  First principles study on the elastic properties and electronic structures of (Fe, Cr)3C , 2009 .

[26]  Y. Duan.  Electronic properties and stabilities of bulk and low-index surfaces of SnO in comparison with SnO2: A first-principles density functional approach with an empirical correction of van der Waals interactions , 2008 .

[27]  H. Ye,et al.  Theoretical studies of solid-solid interfaces , 2006 .

[28]  M. Liao,et al.  Crystallographic and electrical characterization of tungsten carbide thin films for schottky contact of diamond photodiode , 2006 .

[29]  Zhigang Wu,et al.  More accurate generalized gradient approximation for solids , 2005, cond-mat/0508004.

[30]  Li‐Min Liu,et al.  First-principles study of polar Al/TiN(111) interfaces , 2004 .

[31]  Price,et al.  Total energies and bonding for crystallographic structures in titanium-carbon and tungsten-carbon systems. , 1989, Physical review. B, Condensed matter.

[32]  K. Bouzakis,et al.  Effect of the crystallinity of diamond coatings on cemented carbide inserts on their cutting performance in milling , 2019, CIRP Annals.

[33]  Jian Xiao-gang,et al.  The effect of temperature on the mechanical properties of the diamond coating at the film-substrate interface , 2015 .

[34]  Pengfei Guo,et al.  First-principles calculation of W/WC interface: Atomic structure, stability and electronic properties , 2015 .

[35]  Yimin Gao,et al.  Theoretical study on the electronic properties and stabilities of low-index surfaces of WC polymorphs , 2011 .