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Potential application of some metal decorated AlP nano-sheet for detection of boron trichloride
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BCl3 is toxic gas and its detection is of great importance. Thus, here, B3LYP, M06-2X, and B97D density functionals are utilized for probing the effect of decorating Zn, Cd, and Au on the sensing performance of an AlP nano-sheet (AlPNS) in detecting the BCl3. We predict that the interaction of pure AlPNS with BCl3 is physisorption, and the sensing response (SR) of AlPNS is approximately 9.2. The adsorption energy of BCl3 changes from -4.1 to -18.8, -19.1, and -19.5 kcal/mol by decorating the Zn, Cd, and Au metals into the AlPNS surface, respectively. Also, the corresponding SR meaningfully rises to 40.4, 59.0, and 80.9, indicating that by increasing the atomic number of metals, the sensitivity of metal decorated AlPNS (metal@AlPNS) is increased. Therefore, we found that Au-decorating much more increases the sensitivity of AlPNS toward BCl3. As energy decomposing analysis reveals the electrostatic, also known as cation-lone pair interaction, is mostly the nature of the interaction between the BCl3 and metal@AlPNS.
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Population-Level Interest in Glucagon-Like Peptide-1 Receptor Agonists for Weight Loss Using Google Trends Statistics in a 12-Month Retrospective Analysis: An Infodemiology and Infoveillance Study
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م.د ليث غضنفر شريف جمعة2024
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The Effects of Selenium Nanoparticles on the osseointegration of a titanium implant
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م.م فرح رغيد قسطنطين عبدالله2024
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Response surface methodology for optimizing crude oil desalting unit performance in iraq
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م.م سرى جاسم محمد بريج2024
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Development and Validation Of A Dispersive Liquid-Liquid Microextraction Method For Metoclopramide Analysis In Pharmaceuticals And Biological Samples
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أ.م.د. قتيبة ابراهيم خضر الزند2024
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Unveiling a novel exopolysaccharide produced by pseudomonas alcaligenes med1 isolated from a chilean hot spring as biotechnological additive
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م.م سرى جاسم محمد بريج2024