Ambient Carbon Dioxide Capture by Boron-Rich Boron Nitride Nanotube
作者： Heechol Choi , Young Choon Park , Yong-Hyun Kim , Yoon Sup Lee
DOI: 10.1021/JA1101807
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摘要: … From results of ab initio calculations using plane waves [PAW-PBE] and localized atomic orbitals [ONIOM(wB97X-D/6-31G*:AM1)], we report strong CO 2 adsorption on boron antisite (B …
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