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Solar cells are a major contributor to reducing carbon footprint and achieving global carbon neutrality. In halide perovskite photovoltaics, a stable photoactive phase is a prerequisite for long-term effective energy conversion. To achieve this goal it is essential to understand the root of perovskite phase instability at the atomic scale and develop strategies for photoactive phase stabilization. The cover image highlights a unidirectional transition from photoinactive (hexagonal) to the photoactive (cubic) phase that will be the key to realizing the industrialization of perovskite photovoltaics. See Liu et al.
Large language models such as GPT-4 have been approaching human-level ability across many expert domains. GPT-4 can accomplish complex tasks in chemistry purely from English instructions, which may transform the future of chemistry.
A series of tricopper mono-, di- and tri-hydride complexes have been prepared and studied as a models of heterogeneous copper catalysts for carbon dioxide reductions.
Near-infrared spectroscopy combined with machine learning can predict the publication years of paper books from 1851 to 2000 with an unprecedented accuracy of 2 years.
Voronoi domains combined with modelled vibrational sum frequency generation spectroscopy can be used to investigate surfaces, interfaces, and hydrations shells at reduced computational costs.
Earth-abundant halide perovskites are the state-of-the-art absorbers for photovoltaic devices, but their successful commercial use is hampered by phase instabilities that lead to inactivation. This Review examines how to enhance phase stability through the use of in operando analysis and the opportunities for continued material development.
The characterization of terahertz dynamics in molecular materials is a relatively new technique, but has proved valuable for understanding various material functions. This Review highlights some of the most important developments in this cutting-edge area of materials chemistry.
Arynes are curious intermediates for synthesis because they are elusive, fleeting and neutral. This Review focuses on one of the most challenging issues in aryne chemistry, catalytic asymmetric reactions using aryne intermediates, and presents the recent advances in this field.
Flexible molecules are present in solutions as dynamic conformational ensembles. This Review examines the theory and practice of nuclear magnetic resonance-based ensemble determination of flexible mid-sized molecules in solution, providing practical guidelines and benchmarking datasets as well as highlighting the scope of available methods.