Controlling two-phase self-assembly of an adenine derivative on HOPG via kinetic effects

Wang, Can; Jana, Pritam Kumar; Zhang, Haiming; Mu, Zhongfei; Kehr, Gerald; Blömker, Tobias; Erker, Gerhard; Fuchs, Harald; Heuer, Andreas; Chi, Lifeng

doi:10.1039/c4cc03714f

Cited by 8 publications

(16 citation statements)

References 16 publications

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“…5 three large-scale constant-current STM images are shown for different substrate temperatures, varying between 318 and 363 K. The evaporation temperature is fixed. Careful analysis of the data suggests, in agreement with previous work [15], that there are two types of structures with different stripe widths. The narrower stripes correspond to the α phase, the wider stripes to the β phase.…”

Section: B Stm Image For High Substrate Temperaturesupporting

confidence: 87%

“…In the temperature regime T 333 K, analyzed in Ref. [15], the dependence on temperature was consistent with the behavior that is expected on intuitive grounds. That is, increasing the substrate temperature reduced the "yield" of the stable α phase, so N α /N tot decreases monotonically with increasing substrate temperature.…”

Section: A Overall Flux and Temperature Dependencesupporting

confidence: 85%

“…However, the dependence of the experimental results on the deposition rate was unexpected: it was found that lower flux led to a larger contribution of the metastable β phase [15]. Similar effects were reproduced in Monte Carlo (MC) simulations, based on a model of molecules moving on a lattice.…”

Section: Introductionmentioning

confidence: 75%

“…The DFT calculations did not allow the estimation of u H H,β due to the more complex binding situation (see above). However, previous experiments suggest [15,16] that in equilibrium the α phase is the thermodynamically stable state at low temperatures. Thus we choose in the present model the binding energy of the β bond somewhat smaller than that of the α bond.…”

Section: A Definition Of the Lattice Modelmentioning

confidence: 90%

“…In this context we have recently presented experiments on deposition of certain organic molecules (specifically, substituted adenine derivatives A-C22 with an alkyl chain containing 22 carbon atoms) [15]. When studying the resulting structure after the growth of one monolayer, two different phases (denoted α and β) were identified via analysis of scanning tunneling microscopy (STM) images.…”

Section: Introductionmentioning

confidence: 99%

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Anomalous approach to thermodynamic equilibrium: Structure formation of molecules after vapor deposition

et al. 2015

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We describe experiments and computer simulations of molecular deposition on a substrate in which the molecules (substituted adenine derivatives) self-assemble into ordered structures. The resulting structures depend strongly on the deposition rate (flux). In particular, there are two competing surface morphologies (α and β), which differ by their topology (interdigitated vs lamellar structure). Experimentally, the α phase dominates at both low and high flux, with the β phase being most important in the intermediate regime. A similar nonmonotonic behavior is observed on varying the substrate temperature. To understand these effects from a theoretical perspective, a lattice model is devised which reproduces qualitatively the topological features of both phases. Via extensive Monte Carlo studies we can, on the one hand, reproduce the experimental results and, on the other hand, obtain a microscopic understanding of the mechanisms behind this anomalous behavior. The results are discussed in terms of an interplay between kinetic trapping and temporal exploration of configuration space.

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Section: B Stm Image For High Substrate Temperaturesupporting

confidence: 87%

Section: A Overall Flux and Temperature Dependencesupporting

confidence: 85%

Section: Introductionmentioning

confidence: 75%

Section: A Definition Of the Lattice Modelmentioning

confidence: 90%

Section: Introductionmentioning

confidence: 99%

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Anomalous approach to thermodynamic equilibrium: Structure formation of molecules after vapor deposition

et al. 2015

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Dense or Porous Packing? Two‐Dimensional Self‐Assembly of Star‐Shaped Mono‐, Bi‐, and Terpyridine Derivatives

et al. 2015

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The self-assembly behavior of five star-shaped pyridyl-functionalized 1,3,5-triethynylbenzenes was studied at the interface between an organic solvent and the basal plane of graphite by scanning tunneling microscopy. The mono- and bipyridine derivatives self-assemble in closely packed 2D crystals, whereas the derivative with the more bulky terpyridines crystallizes with porous packing. DFT calculations of a monopyridine derivative on graphene, support the proposed molecular model. The calculations also reveal the formation of hydrogen bonds between the nitrogen atoms and a hydrogen atom of the neighboring central unit, as a small nonzero tunneling current was calculated within this region. The title compounds provide a versatile model system to investigate the role of multivalent steric interactions and hydrogen bonding in molecular monolayers.

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Coordination-Controlled One-Dimensional Molecular Chains in Hexapodal Adenine–Silver Ultrathin Films

et al. 2017

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Growth of a silver coordination polymer of a C-symmetric hexaadenine ligand is studied on highly oriented pyrolytic graphite (HOPG), using high-resolution atomic force microscopy (AFM). This unusual ligand offers 6-fold multidentate coordination sites, and consequently, a multidimensional growth of coordination polymer is expected. Notably, each discrete hexapodal unit is bridged by two silver ions along one of the crystallographic directions, resulting in high interaction energy along this direction. When the polymer was deposited on an HOPG surface from a dilute solution, we observed abundant one-dimensional (1D) coordination polymer chains, with a minimum width of approximately 4.5 nm. The single-crystal structure using X-ray analysis is compared with the surface patterns to reconcile and understand the structure of the 1D polymer on an HOPG surface. The energy levels of Ag-L1 within the proposed model were calculated, on the basis of the X-ray crystal structure, and compared to the ligand states to gain information about the electronic structure of ligand upon Ag coordination. On the basis of the wave functions of a few molecular orbitals (MOs) near the Fermi energy, it is surmised that unfilled MOs may play a crucial role in the transport properties of the Ag-L1 adlayer.

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Controlling two-phase self-assembly of an adenine derivative on HOPG via kinetic effects

Cited by 8 publications

References 16 publications

Anomalous approach to thermodynamic equilibrium: Structure formation of molecules after vapor deposition

Anomalous approach to thermodynamic equilibrium: Structure formation of molecules after vapor deposition

Dense or Porous Packing? Two‐Dimensional Self‐Assembly of Star‐Shaped Mono‐, Bi‐, and Terpyridine Derivatives

Coordination-Controlled One-Dimensional Molecular Chains in Hexapodal Adenine–Silver Ultrathin Films

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