Quantum mechanical predictions to elucidate the anisotropic elastic properties of zeolitic imidazolate frameworks: ZIF-4 vs. ZIF-zni
-
- Jin-Chong Tan
- Department of Engineering Science
-
- Bartolomeo Civalleri
- Department of Chemistry
-
- Alessandro Erba
- Department of Chemistry
-
- Elisa Albanese
- Department of Chemistry
書誌事項
- 公開日
- 2015
- DOI
-
- 10.1039/c4ce01564a
- 公開者
- Royal Society of Chemistry (RSC)
説明
<p>We use density functional theory to reveal the detailed elastic properties of two topical ZIF materials comprising the same chemical composition but different crystalline structures. ZIF-4 was found to exhibit a negative Poisson's ratio, representing the first ‘auxetic-ZIF’ to be identified.</p>
収録刊行物
-
- CrystEngComm
-
CrystEngComm 17 (2), 375-382, 2015
Royal Society of Chemistry (RSC)
