What question did this study set out to answer?

To model the atomic-scale structure and evaluate the relative stability and excess surface energies across different crystallographic surfaces of tin dioxide (SnO2).

October 1, 1992Modelling and Simulation in Materials Science and EngineeringOpen Access

The stability of SnO₂surfaces

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To model the atomic-scale structure and evaluate the relative stability and excess surface energies across different crystallographic surfaces of tin dioxide (SnO2).
Simulated various crystallographic surfaces of SnO2 on the atomic scale using standard computational modeling techniques.
Calculated excess surface energies per unit cell and per unit surface area, isolating electrostatic and surface relaxation contributions.
Excess surface energies per unit cell are dominated by electrostatic interactions and correlate directly with the geometric area of the surface unit cell.
Excess energy per unit area is governed primarily by surface relaxation energy and exhibits complex, non-monotonic ordering across different crystal faces.

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Implication

Computational modeling reveals distinct electrostatic and relaxation drivers of surface stability across SnO2 crystal planes, highlighting design parameters for gas sensors.

Cite This Study

Mulheran et al. (1992) studied this question.

synapsesocial.com/papers/6a83cee4ab0020f36262d49e https://doi.org/10.1088/0965-0393/1/1/004

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Implication

Computational modeling reveals distinct electrostatic and relaxation drivers of surface stability across SnO2 crystal planes, highlighting design parameters for gas sensors.

The stability of SnO₂surfaces

Key Points

Discussion

Implication

Cite This Study

The stability of SnO₂surfaces

Key Points

Discussion

Implication

Cite This Study

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