Tag Archives: Daniel Drumm

A new heuristic search strategy to accelerate imaging

7 November 2017:

CNBP researchers Dr Daniel Drumm (lead author pictured) and Prof Andrew Greentree, both at RMIT University, have analysed microscopy in the contexts of Rényi-Ulam games and half-lies, developing a new family of heuristics. Their research is reported in the journal ‘Scientific Reports.’

Journal: Scientific Reports.

Publication titleMicroscopy as a statistical, Rényi-Ulam, half-lie game: a new heuristic search strategy to accelerate imaging.

Authors: Daniel W. Drumm & Andrew D. Greentree.

Abstract: Finding a fluorescent target in a biological environment is a common and pressing microscopy problem. This task is formally analogous to the canonical search problem. In ideal (noise-free, truthful) search problems, the well-known binary search is optimal. The case of half-lies, where one of two responses to a search query may be deceptive, introduces a richer, Rényi-Ulam problem and is particularly relevant to practical microscopy. We analyse microscopy in the contexts of Rényi-Ulam games and half-lies, developing a new family of heuristics. We show the cost of insisting on verification by positive result in search algorithms; for the zero-half-lie case bisectioning with verification incurs a 50% penalty in the average number of queries required. The optimal partitioning of search spaces directly following verification in the presence of random half-lies is determined. Trisectioning with verification is shown to be the most efficient heuristic of the family in a majority of cases.

Exploring small-sized nanoflakes

29 August 2017:

Size-dependent structural and electronic properties of MoSmonolayer nanoflakes, of sizes up to 2nm, have been investigated by CNBP researchers using density-functional theory (DFT). The paper, published in Scientific Reports is accessible online.

Journal: Scientific Reports.

Publication title: A study of size-dependent properties of MoSmonolayer nanoflakes using density-functional theory.

Authors: M. Javaid (pictured), Daniel W. Drumm, Salvy P. Russo & Andrew D. Greentree.

Abstract: Novel physical phenomena emerge in ultra-small sized nanomaterials. We study the limiting small-size-dependent properties of MoS2 monolayer rhombic nanoflakes using density-functional theory on structures of size up to Mo35S70 (1.74 nm). We investigate the structural and electronic properties as functions of the lateral size of the nanoflakes, finding zigzag is the most stable edge configuration, and that increasing size is accompanied by greater stability. We also investigate passivation of the structures to explore realistic settings, finding increased HOMO-LUMO gaps and energetic stability. Understanding the size-dependent properties will inform efforts to engineer electronic structures at the nano-scale.

Electronic transport in Si:P δ-doped wires

Daniel Drumm Low Res Edit 012211 December 2015:

‘Electronic transport in Si:P δ-doped wires’ is the latest paper by CNBP Research Fellow Dr Daniel Drumm, published in the journal Physical Review B.

Abstract – Despite the importance of Si:P δ-doped wires for modern nanoelectronics, there are currently no computational models of electron transport in these devices. In this paper we present a nonequilibrium Green’s function model for electronic transport in a δ-doped wire, which is described by a tight-binding Hamiltonian matrix within a single-band effective-mass approximation. We use this transport model to calculate the current-voltage characteristics of a number of δ-doped wires, achieving good agreement with experiment. To motivate our transport model we have performed density-functional calculations for a variety of δ-doped wires, each with different donor configurations. These calculations also allow us to accurately define the electronic extent of a δ-doped wire, which we find to be at least 4.6 nm.

Further paper information is available online.

CNBP researcher publishes cover article

Daniel research image2 June 2015:

A new research paper has been published by CNBP researcher Daniel W. Drumm. The article, examining models for a dye-sensitised solar cell, featured on the back cover of the journal Physical Chemistry Chemical Physics.

TITLE: Optical properties of a conjugated-polymersensitised solar cell: the effect of interfacial structure.

Dye-sensitised solar cells (DSSCs) have sparked considerable interest over two decades. Recently, a method of polymer-wire sensitisation was demonstrated; the polymer is suggested to form a hole transport pathway (wire) following initial charge separation. We predict the optical properties of this polymer in various interfacial configurations, including the effects of chain length and attachment to {100} or {101} TiO2 facets. Contrary to most DSSCs, the {100} facet model best describes the experimental spectrum, predicting a relative thickness of 5.7 0.2 mm, although {101} attachment, if implemented, may improve collection efficiency. Long chains are optimal, and stable attachment sites show minimal differences to absorbance in the major solar emission (visible) band. Combinations of {100}, {101}, and pseudo-bulk TiO2 models in threeparameter fits to experiment confirm the relative importance of the {100} facet.

Daniel W. Drumm, A. Bilic, Y. Tachibana, A. Millere and S. P. Russoa
Physical Chemistry Chemical Physics, 17:14489, 2015 DOI: 10.1039/C4CP05290K.

The full article can be downloaded: http://pubs.rsc.org/en/content/articlelanding/2015/cp/c4cp05290k#!divAbstract