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Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.6b09944
Abstract: Density functional theory (DFT) calculations are used to investigate the correlation between the uniaxial negative thermal expansion (NTE) and negative linear compressibility (NLC) behaviors in Ag3[Co(CN)6]. First, we reproduce the uniaxial-NTE and NLC behaviors under…
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Keywords:
negative thermal;
uniaxial negative;
negative linear;
thermal expansion ... See more keywords
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Published in 2025 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.5c15222
Abstract: Piezoelectric metal-organic frameworks (MOFs) have recently gained increasing attention for their potential in energy harvesting and sensing applications. However, their performance still lags behind that of conventional ceramics and polymers, mainly due to a lack…
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Keywords:
linear compressibility;
piezoelectricity dynamic;
piezoelectricity;
negative linear ... See more keywords
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Published in 2025 at "Dalton transactions"
DOI: 10.1039/d5dt00453e
Abstract: Zinc carbodiimide, Zn(CN2), exhibits negative linear compressibility (NLC) along the c-axis under hydrostatic pressure. Density functional theory calculations indicate that at high pressure, the a- and b-axes shrink, while the infinite -Zn-N-C-N- helical chains elongate…
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Keywords:
negative linear;
linear compressibility;
zinc carbodiimide;
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Published in 2024 at "Applied Physics Letters"
DOI: 10.1063/5.0220523
Abstract: Due to their unique compositional, structural, and morphological characteristics, hydrogen bonded two-dimensional (2D) layered materials and their one-dimensional tubular derivatives are endowed with great importance in the fields of both fundamental sciences and potential applications.…
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Keywords:
compression behavior;
unexpected negative;
linear compressibility;
alooh nanotubes ... See more keywords