Design and theoretical study of novel multifunctional 3D-BC2N polymorphs
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2021.138610
Abstract: Abstract We constructed a series of novel 3D-BC2N structures that can be obtained by compressing well-mixed carbon nanotube and boron nitride nanotube arrays. Sequential theoretical calculations indicated a variety of electronic and mechanical properties, such… read more here.
Keywords: theoretical study; bc2n polymorphs; study novel; design theoretical ... See more keywords
Computational Design and Theoretical Properties of WC3N6, an H-Free Melaminate and Potential Multifunctional Material.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.3c00631
Abstract: By means of first-principles theory, existence, synthetic conditions, and structural as well as physicochemical properties have been predicted for the first hydrogen-free melaminate salt of the composition WC3N6. We find at least two energetically favorable… read more here.
Keywords: theoretical properties; properties wc3n6; computational design; design theoretical ... See more keywords
On hostile design: Theoretical and empirical prospects
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DOI: 10.1177/0042098019853778
Abstract: Instances of ‘hostile design’ appear across urban space, aimed at pushing particular behaviour – and, ultimately, particular people – out of public areas. But notions of hostile design and related concepts require theoretical clarification. Empirical… read more here.
Keywords: empirical prospects; design theoretical; theoretical empirical; hostile design ... See more keywords