Computation and theory news, December 2021

News archive…

New tool predicts solar cell efficiency and how to improve it

Researchers have developed a simulator that can both predict solar cell efficiency and provide information about what changes will improve it.

22 December 2021

Hexagonal boron nitride (hBN) can be made ‘active’ by ball milling at extremely low temperatures

20 December 2021Cordelia Sealy

A combination of quantum mechanics and machine learning can accurately predict the reduction temperature of metal oxides to their base metals.

13 December 2021

9 December 2021

Sunlight can contract the space between atomic layers in 2D perovskites, improving the material’s photovoltaic efficiency by up to 18%.

2 December 2021

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graphene can covert high frequency gigahertz signals into the terahertz range

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'Thermodynamic stability’ theory says nanoclusters will only be stable if the core cohesive energy is balanced by the core-to-shell binding energy.

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