electronic structureThe structural and electronic properties of diamond and graphite were investigated by the first-principles total-energy pseudopotential method based on density functional theory. The band structure, DOS and PDOS were calculated. Results showed that diamond had a wide band gap, and ...
18-electron compounds REML (RE = rare earth metal; M = Cu, Ag, Au; L = Ge, Sn) can adopt either the stuffed graphite-like (P63mc) or the stuffed diamond-like () structure. To understand why one structure is favored over the other, we carried out density functional theory electronic...
The electronic structure of samples produced by nanodiamond annealing has been examined using ultra-soft X-ray emission and X-ray absorption spectroscopy. Analysis of spectra of diamond/graphite composites showed that carbon atoms constituting the nanoparticles are at least in three states: diamond-like...
Theoretical diffraction patterns have been computed with the use of a known spatial structure of a spherical two-phase nanocrystal particle consisting of a diamond core and an outer graphite shell. This approach not only allowed direct determination of the structure of nanosized crystals but also ...
For the symmetric cubic diamond crystal structure, the lattice spacing given by the (111) diffraction peak directly determines the density rpd À 3. Knowing the density of the shocked state r1 as well as the shock transit time, and thus the shock velocity vS, allows for inferring the ...
Learn and share the most exciting discoveries, innovations and ideas shaping our world today.SubscribeSign up for our newslettersSee the latest storiesRead the latest issueGive a Gift Subscription Follow Us:Return & Refund Policy About Press Room FAQs Contact Us International Editions Advertise Accessib...
(t-C) structure (Fig.4k). Thus, the thickness of the t-C is different for low and high load. The parallel graphene bundles remain only at the iron interface (Fig.4l). In between the graphene bundles and the iron substrate, an additional layer is formed (see area delimited by white ...
Synthesis of B-doped diamond using graphite intercalation compounds (GICs) A new method has been developed to synthesize B-doped diamond with B-doped graphite intercalation compounds (GICs). H 3BO 3-GICs that were prepared by the ... JB Zang,YH Wang,XM Zhang,... - 《Journal of Materials...
thermodynamically size-dependent phase stabilities among graphite, diamond, fullerenes, and carbon onions, size鈥搕emperature phase diagram of nanocarbon is ... Q Jiang,ZP Chen - 《Carbon》 被引量: 88发表: 2006年 2D self-assembly of oligo(p-phenylene vinylene) derivatives: from dimers to chira...
Structure characteristics and adsorption performance of graphene oxide prepared by spent carbon cathode—an ultra-low temperature graphitized carbon material Pan Li Yuran Chen Xuemin Liang Environmental Science and Pollution Research(2023) Fabrication of N,S co-doped carbon immobilized high-density Co singl...