Stereochemical expression of ns2 electron pairs in metal halide perovskites
Metal halide perovskites (MHPs) are characterized as strongly anharmonic and dynamic
lattices. While there is a consensus on the solvation-like polarization effect in these …
lattices. While there is a consensus on the solvation-like polarization effect in these …
Recent developments in the methods and applications of the bond valence model
ID Brown - Chemical reviews, 2009 - ACS Publications
The bond valence model was described comprehensively in my 2002 book, The Chemical
Bond in Inorganic Chemistry: The Bond Valence Model, 1 where references to earlier work …
Bond in Inorganic Chemistry: The Bond Valence Model, 1 where references to earlier work …
Unlocking surface octahedral tilt in two-dimensional Ruddlesden-Popper perovskites
Molecularly soft organic-inorganic hybrid perovskites are susceptible to dynamic instabilities
of the lattice called octahedral tilt, which directly impacts their carrier transport and exciton …
of the lattice called octahedral tilt, which directly impacts their carrier transport and exciton …
Resolving the physical origin of octahedral tilting in halide perovskites
Hybrid perovskites are currently the fastest growing photovoltaic technology, having reached
a solar cell efficiency of over 20%. One possible strategy to further improve the efficiency of …
a solar cell efficiency of over 20%. One possible strategy to further improve the efficiency of …
Control of octahedral connectivity in perovskite oxide heterostructures: An emerging route to multifunctional materials discovery
Research in ABO3 perovskite oxides ranges from fundamental scientific studies in
superconductivity and magnetism to technologies for advanced low-power electronics …
superconductivity and magnetism to technologies for advanced low-power electronics …
Structure and properties of functional oxide thin films: insights from electronic‐structure calculations
JM Rondinelli, NA Spaldin - Advanced materials, 2011 - Wiley Online Library
The confluence of state‐of‐the‐art electronic‐structure computations and modern synthetic
materials growth techniques is proving indispensable in the search for and discovery of new …
materials growth techniques is proving indispensable in the search for and discovery of new …
Enhanced Structural Stability and Photo Responsiveness of CH3NH3SnI3 Perovskite via Pressure‐Induced Amorphization and Recrystallization
However, these high PCE values are often reached with low stability, which is mainly
associated with the structural instability of hybrid perovskites.[1, 11] Among the organometal …
associated with the structural instability of hybrid perovskites.[1, 11] Among the organometal …
Heterointerface engineered electronic and magnetic phases of NdNiO3 thin films
Mott physics is characterized by an interaction-driven metal-to-insulator transition in a
partially filled band. In the resulting insulating state, antiferromagnetic orders of the local …
partially filled band. In the resulting insulating state, antiferromagnetic orders of the local …
Macroscopic twisting of chiral metal halide single crystals driven by thermo-induced topochemical dehydration
M Xin, P Cheng, R Shi, J Guan, X Han… - Journal of the …, 2024 - ACS Publications
Dynamic twisting crystals, combining the features of dynamic crystals and twisting crystals,
promise advanced applications in targeted drug delivery, biosensors, microrobots, and …
promise advanced applications in targeted drug delivery, biosensors, microrobots, and …
High-throughput computation of thermal conductivity of high-temperature solid phases: the case of oxide and fluoride perovskites
Using finite-temperature phonon calculations and machine-learning methods, we assess the
mechanical stability of about 400 semiconducting oxides and fluorides with cubic perovskite …
mechanical stability of about 400 semiconducting oxides and fluorides with cubic perovskite …