DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: From standalone molecules to self-assembled-monolayers

Poberznik Matic; Chiter Fatah; Milosev Ingrid; Marcus Philippe; Costa Dominique; Kokalj Anton

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DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: From standalone molecules to self-assembled-monolayers

机译：N-烷基羧酸对氧化铝表面的DFT研究：从独立分子到自组装单层

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《Applied Surface Science 》 |2020年第30期| 146156.1-146156.14| 共14页
作者
Poberznik Matic; Chiter Fatah; Milosev Ingrid; Marcus Philippe; Costa Dominique; Kokalj Anton;
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Jozef Stefan Inst Dept Phys & Organ Chem Jamova 39 SI-1000 Ljubljana Slovenia;

PSL Res Univ CNRS Chim ParisTech Inst Rech Chim Paris IRCP Phys Chem Surfaces Grp F-75005 Paris France;

Jozef Stefan Inst Dept Phys & Organ Chem Jamova 39 SI-1000 Ljubljana Slovenia;

PSL Res Univ CNRS Chim ParisTech Inst Rech Chim Paris IRCP Phys Chem Surfaces Grp F-75005 Paris France;

PSL Res Univ CNRS Chim ParisTech Inst Rech Chim Paris IRCP Phys Chem Surfaces Grp F-75005 Paris France;

Jozef Stefan Inst Dept Phys & Organ Chem Jamova 39 SI-1000 Ljubljana Slovenia;

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1. Assembling Mixed Carboxylic Acid Molecules on Hierarchical Structured Aluminum Substrates for the Fabrication of Superoleophobic Surfaces with Controlled Oil Adhesion [J] . Cheng Zhongjun, Lai Hua, Du Ying, ChemPlusChem . 2015 ,第1期

机译：在等级结构化铝基板上组装混合羧酸分子，用于制造具有受控油粘附的超细表面
2. Dft Study Of Carboxylic Acids Modes Of Adsorption On Rutile Tio_2(011) Surfaces [J] . P.R. McGill, H. Idriss Surface Science . 2008 ,第24期

机译：DFT研究金红石Tio_2（011）表面上的羧酸吸附方式
3. A Computational Study of Cytotoxicity of Substituted Amides of Pyrazine-2-carboxylic acids Using QSAR and DFT Based Molecular Surface Electrostatic Potential [J] . Gholami Mohammadreza, Haghgoo Mohammad, Hosseini Sharieh, Iranian Journal of Pharmaceutical Research . 2013 ,第4期

机译：基于QSAR和DFT的分子表面静电势计算研究吡嗪-2-羧酸取代酰胺的细胞毒性
4. How silanol headgroups bond to oxidized aluminum surfaces: A DFT modeling study [C] . Anton KOKALJ, Matic POBERZNIK, Ingrid MILOSEV, . -1

机译：硅烷醇头组如何粘合到氧化铝表面：DFT建模研究
5. I. CHEMICAL CHARACTERIZATION OF THE CLEAN AND OXIDIZED MOLYBDENUM (100) SURFACE BY THE ADSORPTION OF GASEOUS ACIDS AND BASES IN ULTRAHIGH VACUUM AND AT ATMOSPHERIC PRESSURES. II. HIGH TEMPERATURE OXIDATION OF THE ALUMINUM(111) SURFACE. [D] . WALKER, BRIAN WILLIAM. 1981

机译：I.通过在高真空和常压下吸附气态酸和碱，对清洁和氧化的钼（100）表面进行化学表征。二。铝（111）表面的高温氧化。
6. A Computational Study of Cytotoxicity of Substituted Amides of Pyrazine- 2-carboxylic acids Using QSAR and DFT Based Molecular Surface Electrostatic Potential [O] . Sharieh Hosseini, Majid Monajjemi, Elahe Rajaeian, 2013

机译：基于QSAR和DFT的分子表面静电势计算研究吡嗪2-羧酸取代酰胺的细胞毒性
7. Electrochemical, Surface-Analytical, and Computational DFT Study of Alkaline Etched Aluminum Modified by Carboxylic Acids for Corrosion Protection and Hydrophobicity [O] . I. Milošev, T. Bakarič, S. Zanna, 2019

机译：羧酸改性碱性蚀刻铝的电化学，表面分析和计算DFT研究，用于腐蚀保护和疏水性

DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: From standalone molecules to self-assembled-monolayers

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