Stability of homochiral and heterochiral phases of glycinate on Cu(001): a first principles theoretical study

Mae, K.; Morikawa, Yoshitada

doi:10.1016/j.susc.2004.01.052

Cited by 26 publications

(36 citation statements)

References 25 publications

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“…In the c(2×4) and p(2×4) superstructures, the difference in H-bond orientation does not seem to influence the specific surface free energy, as confirmed by aDFT study [180]. On the other hand, the empirical models proposed in Figure 12, and based on comparative analysis of the STM and LEED data, suggest that: -The (4×2) superstructure contains 2 molecules per unit cell, each one being the mirror image of the other.…”

Section: Glycine Adsorption At Cu Surfacesmentioning

confidence: 69%

Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Costa

Pradier

Tielens

et al. 2015

Surface Science Reports

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Understanding the bio-physical-chemical interactions at nanostructured biointerfaces and the assembling mechanisms of so-called hybrid nano-composites is nowadays a keyissue for nanoscience in view of the many possible applications foreseen. The contribution of surface science in this field is noteworthy since, using a bottom-up approach, it allows the investigation of the fundamental processes at the basis of complex interfacial phenomena and thus it helps to unravelthe elementary mechanisms governing them. Nowadays it is well demonstrated that a wide variety of different molecular assemblies can form upon adsorption of small biomolecules at surfaces. The geometry of such self-organized structures can often be tuned by a careful control of the experimental conditions during the deposition process. Indeed an impressive number of studies exist (both experimental and -to a lesser extendtheoretical), which demonstrate the ability of molecular self-assembly to create different structural motifs in a more or less predictable manner, by tuning the molecular building blocks as well as the metallic substrate. In this frame, amino acidsand small peptides at surfaces are key, basic, systems to be studied. The amino acidsstructure is simple enough to serve as a model for the chemisorption of biofunctional molecules, but their adsorption at surfaces has applications in surface functionalization, in enantiospecific catalysis, biosensing, nanoparticles shape control or in emerging fields such as "green" corrosion inhibition. In this paper we review the most recent advancements in this field. We will start from amino acids adsorption at metal surfaces and we will evolve then in the direction of more complex systems, in thelight of the latest improvements of surface science techniques and of computational methods. On one side, we will focus on amino acids adsorption at oxide surfaces, on the other on peptide adsorption both at metal and oxide substrates. Particular attention will be drawn to the added value provided by the combination of several experimental surface science techniques and to the precious contribution of advanced complementary computational methods to resolve the details of systems of increased complexity. Finally, some hints into experiments performed in the presence of water and then characterized in UHV and in the related theoretical work will be presented. This is a further step towards abetter approximation of real biological systems. However, since the methods employed are often not typical of surface science, this topic is not developed in details.2

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Section: Glycine Adsorption At Cu Surfacesmentioning

confidence: 69%

Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Costa

Pradier

Tielens

et al. 2015

Surface Science Reports

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“…There is consensus around l3 bonding, supported by RAIRS [44]. For glycinate, PhD and DFT confirm the positions of the N and O atoms near-atop Cu (although PhD cannot distinguish between l2 and l3 bonding) [24,27,29,45].…”

Section: Cu{100}: Glycine Alaninementioning

confidence: 90%

“…A range of amino acids, including glycine and alanine, has been studied on Cu{100} [24,27,29,[41][42][43][44][45][46][47][48]. STM images of overlayers formed with glycine show either c(2 9 4) or (2 9 4) periodicity; with alanine, only c(2 9 4) is seen [42,43].…”

Section: Cu{100}: Glycine Alaninementioning

confidence: 99%

“…STM images of (2 9 4) glycinate appear more consistent with the ''(2 9 4)pg heterochiral'' than the ''pseudo-(2 9 2) heterochiral'' model. For both glycinate and enantiopure alaninate, DFT indicates that the ''c(2 9 4) homochiral'' and ''pseudo-(2 9 2) heterochiral'' models are the most stable, and are essentially degenerate, implying that both structures are likely to co-exist on the surface [27,45]. Intuitively, the ''c(2 9 4) homochiral'' model seems especially plausible for enantiopure alaninate domains, linking footprint and molecular chiralities.…”

Section: Cu{100}: Glycine Alaninementioning

confidence: 99%

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Chirality in Amino Acid Overlayers on Cu Surfaces

et al. 2011

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Chirality at surfaces has become a strong focus within the surface science community. A particular motivation is the prospect of using heterogeneous catalysis over chiral solid surfaces for asymmetric synthesis, a prospect which has clear relevance to the pharmaceutical industry. Small amino acids adsorbed on Cu surfaces have emerged as important model systems for studying the interaction of chiral molecules with metal surfaces. In this article, we review the current state of knowledge of these systems, and present the results of new experimental studies of alanine overlayers on Cu{311} and {531} surfaces. Our work on Cu{311} helps us to understand the interplay between different manifestations of chirality, especially ''footprint chirality'', in the overlayers. Cu{531} is an intrinsically chiral surface orientation; our data reveal strongly enantiospecific alanine-induced restructuring of this surface. This points the way towards a promising route for obtaining strongly enantiospecific interactions with chiral adsorbates.

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“…Finally, according to study of glycine on Cu(001) by DFT, it is reported that the brightest protrusions of STM image are located just above the highest hydrogen atom bonded to a carbon atom and the parts are observed as bright protrusions in the domain in the STM image [14]. In Fig.…”

Section: Resultsmentioning

confidence: 88%

Self-Organization of L-Serine on Cu(001)

Iwai

Emori

Egawa

2009

e-J. Surf. Sci. Nanotechnol.

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We investigated two self-organized structures of the L-serine on the Cu(001) surface using LEED and STM at 310 K. The first structure just after L-serine deposition formed as thick line domains with width of about 10 nm in " 2 −1 2 4 « periodicity, and the second was observed as thin line domains of one-dimensional structure in " 2 1x y « periodicity (where x and y are any integer). These structures were considered by high-resolution STM images in which a protrusion was discriminated as an adsorbate, and we propose interesting structure models. The former structure consists of L-serine dimers as octameric cluster-like of serine, on the other hand, the latter is formed by two serine rows connected in rotated symmetry with " 2 1x y « periodicity.

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Stability of homochiral and heterochiral phases of glycinate on Cu(001): a first principles theoretical study

Cited by 26 publications

References 25 publications

Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Chirality in Amino Acid Overlayers on Cu Surfaces

Self-Organization of L-Serine on Cu(001)

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