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Nanoscience

Working Paper

The Effect of Alkyl Termination on the Optical and Electronic Properties of Silicon Nanoparticles

Eimear Madden, Martijn Zwijnenburg

Version 2 posted 10 January 2025

87

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Physical Chemistry

Working Paper

Insight into the Self-Assembly of Water-Soluble Perylene Bisimide Derivatives Through a Combined Computational and Experimental Approach

Emily R. Draper, Liam Wilbraham, Dave J. Adams, Matthew Wallace, Martijn Zwijnenburg

Version 2 posted 30 April 2019

737

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Materials Science

Working Paper

Structurally Diverse Covalent Triazine-based Framework Materials for Photocatalytic Hydrogen Evolution from Water

Christian B. Meier, Rob Clowes, Enrico Berardo, Kim Jelfs, Martijn Zwijnenburg, Seb Sprick, Andrew I. Cooper

Version 1 posted 17 July 2019

935

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Theoretical and Computational Chemistry

Working Paper

Mapping Binary Copolymer Property Space with Neural Networks

Liam Wilbraham, Seb Sprick, Kim Jelfs, Martijn Zwijnenburg

Version 2 posted 12 March 2019

1,157

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Catalysis

Working Paper

Photocatalytic Proton Reduction by a Computationally Identified, Molecular Hydrogen-Bonded Framework

Catherine Aitchison, Christopher M. Kane, David P. McMahon, Peter Spackman, Angeles Pulido, Xiaoyan Wang, Liam Wilbraham, Linjiang Chen, Rob Clowes, Martijn Zwijnenburg, Seb Sprick, Marc Little, Graeme Day, Andrew I. Cooper

Version 1 posted 23 December 2019

538

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Nanoscience

Working Paper

The Effect of Particle Size on the Optical and Electronic Properties of MgO Nanoparticles

Martijn Zwijnenburg

Version 3 posted 04 August 2021

630

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Theoretical and Computational Chemistry

Working Paper

Using High-Throughput Virtual Screening to Explore the Optoelectronic Property Space of Organic Dyes; Finding Diketopyrrolopyrrole Dyes for Dye-Sensitized Watersplitting and Solar Cells

Isabelle Heath-Apostolopoulos, Diego Vargas-Ortiz, Liam Wilbraham, Kim Jelfs, Martijn Zwijnenburg

Version 2 posted 01 July 2020

671

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Theoretical and Computational Chemistry

Working Paper

Molecular Generation Targeting Desired Electronic Properties via Deep Generative Models

Qi Yuan, Alejandro Santana-Bonilla, Martijn Zwijnenburg, Kim Jelfs

Version 2 posted 23 December 2019

1,144

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Catalysis

Working Paper

Computational High-Throughput Screening of Polymeric Photocatalysts: Exploring the Effect of Composition, Sequence Isomerism and Conformational Degrees of Freedom

isabelle Heath-Apostolopoulos, Liam Wilbraham, Martijn Zwijnenburg

Version 4 posted 11 December 2018

746

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Catalysis

Working Paper

Incorporating Heteroatoms into Fluorene-type Conjugated Polymers for Enhanced Photocatalytic Hydrogen Production

Yang Bai, Duncan J. Woods, Liam Wilbraham, Catherine Aitchison, Martijn Zwijnenburg, Seb Sprick, Andrew I. Cooper

Version 2 posted 20 December 2019

894

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Refine Search

19 results in Martijn Zwijnenburg in Authors: Martijn Zwijnenburg

The Effect of Alkyl Termination on the Optical and Electronic Properties of Silicon Nanoparticles

Insight into the Self-Assembly of Water-Soluble Perylene Bisimide Derivatives Through a Combined Computational and Experimental Approach

Structurally Diverse Covalent Triazine-based Framework Materials for Photocatalytic Hydrogen Evolution from Water

Mapping Binary Copolymer Property Space with Neural Networks

Photocatalytic Proton Reduction by a Computationally Identified, Molecular Hydrogen-Bonded Framework

The Effect of Particle Size on the Optical and Electronic Properties of MgO Nanoparticles

Using High-Throughput Virtual Screening to Explore the Optoelectronic Property Space of Organic Dyes; Finding Diketopyrrolopyrrole Dyes for Dye-Sensitized Watersplitting and Solar Cells

Molecular Generation Targeting Desired Electronic Properties via Deep Generative Models

Computational High-Throughput Screening of Polymeric Photocatalysts: Exploring the Effect of Composition, Sequence Isomerism and Conformational Degrees of Freedom

Incorporating Heteroatoms into Fluorene-type Conjugated Polymers for Enhanced Photocatalytic Hydrogen Production

19 results in Authors: Martijn Zwijnenburg