Rational Design of Multifunctional Renewable-Resourced Materials
نویسندگان
چکیده
منابع مشابه
Computational design of multifunctional materials
We propose a general scheme for the computational design of new materials using density functional theory. We then apply the scheme to two classes of materials; ferromagnetic ferroelectrics and half-metallic antiferromagnets. Our first ‘‘designer’’ ferromagnetic ferroelectric has subsequently been synthesized and the predicted properties verified. Our computations on halfmetallic antiferromagne...
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ژورنال
عنوان ژورنال: Biomacromolecules
سال: 2019
ISSN: 1525-7797,1526-4602
DOI: 10.1021/acs.biomac.9b00060