AlO_(2):A novel two-dimensional material with a high negative Poisson's ratio for the adsorption of volatile organic compounds  

作　　者：Xinghong Cai Qiang Yang Yao Tong Lanyin Liu Wutang Zhang Sam Zhang Min Wang 

机构地区：[1]Chongqing Key Laboratory for Advanced Materials and Technologies of Clean Energies,School of Materials and Energy,Southwest University,Chongqing 400715,China [2]BatteroTech Co.,Ltd.,Shanghai 201417,China [3]School of Astronautics,Harbin Institute of Technology,Harbin 150001,China [4]Zhengzhou Research Institute,Harbin Institute of Technology,Zhengzhou 450000,China

出　　处：《Chinese Chemical Letters》2025年第2期529-535,共7页中国化学快报(英文版)

基　　金：financially supported by National Natural Science Foundation of China(No.22275149);Fundamental Research Funds for the Central Universities(No.SWU118105);the Next-Generation Advanced Energy Materials Program of BatteroTech Co.,Ltd.

摘　　要：We propose and investigate a novel stable two-dimensional(2D)AlO_(2)with anomalous stoichiometric ratios based on first-principles calculation.2D AlO_(2)has metallic properties.It possesses the rare in-plane and out-of-plane negative Poisson's ratio(NPR)phenomenon,originating from its special sawtooth-like structure.The absolute value of the NPR decreases as the number of layers increases.The adsorption of volatile organic compounds(VOCs)including CH_(2)O,C_(2)H_(3)Cl and C_(6)H_(6)by AlO_(2)exhibit small adsorption distance,large adsorption energy,large charge transfer and significant density of states(DOS)changes,indicating the presence of strong interactions.The desorption time of each gas molecule on the AlO_(2)surface is also evaluated,and the results further suggest that the desorption of VOCs can be controlled by changing the temperature to achieve the recycling of AlO_(2).These interesting properties make 2D AlO_(2)a promising material for electronic,mechanical and sensing applications for VOCs.

关 键 词：AlO_(2) Negative Poisson's ratio VOCs Two-dimensional material First-principles calculations 

分 类 号：X701[环境科学与工程—环境工程] O647.3[理学—物理化学]