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- W2096601183 abstract "In recent years, first-principles quantum-mechanical simulations have become established as a complementary tool to experiments in the design and characterization of new materials. Here we illustrate this in the case of boron nitride (BN) analogues of conjugated organic polymers which offer a cheap alternative to inorganic semiconductors in the manufacture of electronic devices. By analogy with heterostructures, such as quantum wells and superlattices, currently used by the conventional semiconductor industry, we show how copolymers consisting of sections of carbon and BN can be designed to tune the electronic properties of these new materials." @default.
- W2096601183 created "2016-06-24" @default.
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- W2096601183 date "2002-10-11" @default.
- W2096601183 modified "2023-10-02" @default.
- W2096601183 title "Material design from first principles: the case of boron nitride polymers" @default.
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- W2096601183 doi "https://doi.org/10.1088/0953-8984/14/42/312" @default.
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