Search results for "Energy & Fuels"
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Ligand engineering in Cu(ii) paddle wheel metal–organic frameworks for enhanced semiconductivity
2020
We report the electronic structure of two metal-organic frameworks (MOFs) with copper paddle wheel nodes connected by a N2(C2H4)3 (DABCO) ligand with accessible nitrogen lone pairs. The coordination is predicted, from first-principles density functional theory, to enable electronic pathways that could facilitate charge carrier mobility. Calculated frontier crystal orbitals indicate extended electronic communication in DMOF-1, but not in MOF-649. This feature is confirmed by bandstructure calculations and effective masses of the valence band egde. We explain the origin of the frontier orbitals of both MOFs based on the energy and symmetry alignment of the underlying building blocks. The effe…
Horizon scanning the European bio‐based economy: a novel approach to the identification of barriers and key policy interventions from stakeholders in…
2016
There is international recognition that developing a climate-smart bioeconomy is essential to the continuation of economic development, reduction of greenhouse gas emissions, and adaptation to climatic change; Bio-based products have an important role in making this transition happen. Supporting policy interventions have been put forward at European and national levels to support innovation and development of bio-based products and services. This study asks whether suggested policy interventions reflect the needs of stakeholders and examines how these needs vary between European regions. This consultation was performed through an online survey of 447 experts actively involved in bio-based r…