Modeling of radical structures in biochar using DFT calculations
August 20-25, 2017
Carbon is a key ingredient for producing metals used for cellphones, laptop computers, photovoltaic panels, and related solid state silicon devices employed by mankind. Thus, introduction of an alternative reductant based on bioresources into steel manufacturing without significant investments in a new technology is of high importance and wide impact. The production of iron, steel, and many other metals can employ biocarbon as the needed reductant; but because of cost, coals are usually used instead.
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Anna Trubetskaya, Markus Broström, Mogens Larsen Andersen, and Søren Talbro Barsberg, "Modeling of radical structures in biochar using DFT calculations" in "Biochar: Production, Characterization and Applications", Franco Berruti, Western University, London, Ontario, Canada Raffaella Ocone, Heriot-Watt University, Edinburgh, UK Ondrej Masek, University of Edinburgh, Edinburgh, UK Eds, ECI Symposium Series, (2017). http://dc.engconfintl.org/biochar/70
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