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Renewable energy applications largely rely on transition metal catalysts. Similar to organocatalysts, p-block elements exhibit transition-metal-like catalytic performances. Si Zhou and co-workers review the latest advances in p-block elements as catalysts for energy conversion to deeply understand the concept of metal-free catalysis and establish the design principles for p-block catalysts.
While the theory of imperfections in solids is firmly established, procedures for first-principles calculations of defect quantities continue to evolve. A plethora of ad hoc correction schemes is being replaced by sophisticated self-consistent procedures that will enable more quantitative predictions of the formation energies of defect species and their spectroscopic signatures.
