Accumulated Lattice Strain as an Internal Trigger for Spontaneous Pathway Selection

Area of Science:

• Materials Science
• Crystallography
• Chemical Engineering

Background:

• Multicomponent crystallization is crucial in materials science, biology, and geology, offering new avenues in crystal engineering.
• External triggers are typically used to guide pathway selection in complex crystallization processes.
• Understanding internal mechanisms for pathway selection remains a key challenge.

Purpose of the Study:

• To investigate the role of internal triggers in multicomponent crystallization pathway selection.
• To identify novel mechanisms governing crystal structure transitions.
• To explore the potential of lattice strain as an internal trigger.

Main Methods:

• Synthesis of multicomponent crystals under controlled conditions.
• In situ characterization of crystal growth and structural evolution.
• Analysis of lattice strain accumulation and its effect on crystal transformation.

Main Results:

• A spontaneous crystal transition was observed, driven by accumulated lattice strain.
• A kinetically favored layered crystal transformed into a thermodynamically favored pillared-layer crystal.
• Lattice strain, localized around a dislocation, triggered the invasion of pillar ligands.

Conclusions:

• Lattice strain can function as an intrinsic trigger for pathway selection in multicomponent crystallization.
• Spontaneous crystal transitions offer a new strategy for designing desired crystalline structures.
• This finding advances the understanding of crystal engineering and materials design.