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First-principles investigation of V-doping effects on Fe3Cr4C3 carbide in hypereutectic Fe-Cr-C hardfacing coating

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2021; 77 ()

The mechanical property improvement of M7C3 carbides in hypereutectic Fe-Cr-C hardfacing coating is required for its widespread application and longer......

Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2021; 77 ()

Copper perchlorophthalocyanine (CuPcCl16, CuC32N8Cl16, Pigment Green 7) is one of the commercially most important green pigments. The compound is a na......

Synthesis, crystal growth, characterization and DFT investigation of a nonlinear optically active cumi-naldehyde derivative hydrazone

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2021; 77 ()

Single crystals of (E)-N'-(4-isopropylbenzylidene)isonicotinohydrazide monohydrate (IBIHM) were grown from ethanol by the slow evaporation from soluti......

The crystal structure and thermal decomposition kinetics of cis-hexanitrostilbene

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2021; 77 ()

Hexanitrostilbene (HNS) is an energetic material with wide application and excellent comprehensive performance. cis-HNS is successfully prepared using......

Size-dependent strain in fivefold twins of gold

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2021; 77 ()

Multiple twinned structures are common in low-dimensional materials. They are intrinsically strained due to the geometrical constraint imposed by the ......

Seven new metal-organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2020; 76 ()

Seven new metal-organic frameworks (MOFs), namely, [Zn-2(L-1)(H2O)(3)](n) (1), [Zn-2(L-1)(dib)(H2O)(2)](n) (2), {[Zn-2(L-1)(4,4'-bipy)(H2O)(2)]center ......

A new Zn-II metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2020; 76 ()

Taking advantage of V-shaped ligands, a Zn-II metallocryptand, namely {[Zn-2(didp)(2)(m-bdc)(2)]}(n), (1) [didp = 2,8-di(1H-imidazol-1-yl)-dibenzothio......

The mechanism of solvent-mediated desolvation transformation of lenvatinib mesylate from di-methyl sulfoxide solvate to form D

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2020; 76 ()

In this work, the mechanism of solvent-mediated desolvation transformation of lenvatinib mesylate (LM) was investigated. Two new solid forms of LM, a ......

Crystal forms and phase transformation of 1,5-pentanediamine-terepnthalate: a bio-based nylon 5T monomer

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2020; 76 ()

Nylon 5T is one of the bio-based nylons, its raw material 1,5-pentanediamine is derived from biomass resources and produced by biological methods. 1,5......

Effect of growth modes on electrical and thermal transport of thermoelectric ZnO:Al films

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2020; 76 ()

Electrical and thermal transport controlled by growth mode can be used to optimize thermoelectric properties of ZnO:Al films, which was adjusted by th......

Growth of c-plane and m-plane aluminium-dosed zinc oxide thin films: epitaxy on flexible substrates with cubic-structure seeds

期刊: ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2020; 76 ()

Manufacturing high-quality zinc oxide (ZnO) devices demands control of the orientation of ZnO materials due to the spontaneous and piezoelectric polar......

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