Adsorption of phosphonic and ethylphosphonic acid on aluminum oxide surfaces

Luschtinetz, Regina; Oliveira, Augusto F.; Frenzel, Johannes; Joswig, Jan‐Ole; Seifert, Gotthard; Duarte, Hélio A.

doi:10.1016/j.susc.2008.01.035

Cited by 103 publications

(102 citation statements)

References 68 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The SCC-DFTB method has been successfully applied in our group to study the adsorption of phosphonic and ethylphosphonic acids on aluminum and titanium oxides [10,15] . A recent review on the method and its approximations can be found elsewhere [16] .…”

Section: Computational Detailsmentioning

confidence: 99%

“…These models consist of periodic slabs derived from the optimized geometries of the respective bulk structures. A more detailed description of our surface models has been published in a previous paper [10] .…”

Section: Computational Detailsmentioning

confidence: 99%

“…The bonds between the APAs and the surface were assumed to follow the mechanism shown in Figure 2. In the present study we only considered the adsorption sites found to be the most favorable in our previous work [10] . The adsorption sites for each surface model are shown in Figure 3.…”

Section: Computational Detailsmentioning

confidence: 99%

“…In a previous investigation, we studied the adsorption of phosphonic acid (H 3 PO 3 ) and ethylphosphonic acid (H 5 C 2 −PO 3 H 2 ) in order to find the most suitable adsorption sites on aluminum surface [10] . Since natural aluminum surfaces are covered by an oxide film, which is mostly amorphous [4b, 11] , we have used theoretical surface models based on corundum (α-Al 2 O 3 (0001)), bayerite (β-Al(OH) 3 (001)), and boehmite (γ-AlOOH (010)).…”

Section: Introductionmentioning

confidence: 99%

“…We have considered mono-, bi-and tridentate adsorption complexes, where the anchoring phosphonic group binds to the surface via one, two or three P−O−Al bonds, respectively, corresponding to the stepwise condensation reaction (see Figure 2) between the phosphonic acids and the hydroxyl groups of the surface [9c, 10, 12] . For each coordination mode we have used the energetically preferred sites of each surface, which we have determined in an earlier study [10] . We have also studied the adsorption of single molecules in addition to SAMs formed when the maximum number of APA molecules is attached to the surfaces.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Self‐assembled Monolayers of Alkylphosphonic Acids on Aluminum Oxide Surfaces – A Theoretical Study

Luschtinetz

Oliveira

Duarte

et al. 2010

Zeitschrift anorg allge chemie

Self Cite

View full text Add to dashboard Cite

. Self-assembled monolayers of alkylphosphonic acids on aluminum oxide surfaces -A theoretical study. Zeitschrift für Anorganische und Allgemeine Chemie, 2010, 636 (8) (001) and boehmite γ-AlOOH (010) surface models. Mono-, bi-, and tridentate adsorption modes have been considered. In addition, the organization of single adsorbed molecules has been compared to the organization at full surface coverage. The height (thickness) of the self-assembled monolayers is always shorter than the length of the phosphonic acid molecules due to tilting of the alkyl chains. Tilt angles at full surface coverage are very similar to the tilt angle of a single adsorbed molecule, indicating that the density of the self-assembled monolayers is limited by the density of adsorption sites. The lateral interactions between alkyl chains are evidenced by small torsions of the adsorbed molecules, which may serve to minimize the repulsion forces between interchain hydrogen atoms. Similar tilt angles have been obtained for mono-, bi-, and tridentate adsorptions. Hence, the coordination mode cannot be characterized by the molecule tilting.____________ [a]

show abstract

Section: Computational Detailsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Self‐assembled Monolayers of Alkylphosphonic Acids on Aluminum Oxide Surfaces – A Theoretical Study

Luschtinetz

Oliveira

Duarte

et al. 2010

Zeitschrift anorg allge chemie

Self Cite

View full text Add to dashboard Cite

show abstract

Wettability Engineering for Studying Ion Transport in 2D Layered Materials

Kühne

Zhao

Zschieschang

et al. 2020

Adv Materials Inter

View full text Add to dashboard Cite

Layered materials are widely used for their capacity to incorporate and store foreign ionic species. It has become possible to exploit this process at the level of single crystals consisting of individual atomic layers: 2D materials and their van der Waals heterostructures. Due to the small size of available high‐quality specimen, however, it remains challenging to probe ion transport and storage in these systems. To promote future advances in this field, wettability engineering is introduced as a strategy for the on‐chip integration of electrolytes with micrometer‐sized samples of 2D materials. Contact angles are systematically measured for a variety of electrolyte–surface couples to identify a rational device design, and engineer lateral contrasts in surface chemistry to control the rims of drop cast electrolytes with micrometer precision. This allows covering single crystalline flakes of 2D materials only partially, leaving most of the sample surface uncovered and imposing directionality on ion transport. Wettability engineering is used to fabricate few‐layer graphene electrochemical micro two‐compartment cells that display chemical diffusion of lithium on the order of 10−8 cm2 s−1. While the approach is transferrable to other 2D materials and ionic species, it can also benefit device design for the study of nonlocal electrolyte gating effects.

show abstract