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Professor Chris Groves' Outputs (55)

Relating Molecular Morphology to Charge Mobility in Semicrystalline Conjugated Polymers (2016)
Journal Article
Jones, M., Huang, D., Chakrabarti, B., & Groves, C. (2016). Relating Molecular Morphology to Charge Mobility in Semicrystalline Conjugated Polymers. Journal of Physical Chemistry C, 120(8), 4240-4250. https://doi.org/10.1021/acs.jpcc.5b11511

The molecular-level origins of the effects of annealing temperature and molecular weight on hole mobility in P3HT are elucidated using coarse-grained molecular dynamics, quantum chemical calculations, and kinetic Monte Carlo charge-transport simulati... Read More about Relating Molecular Morphology to Charge Mobility in Semicrystalline Conjugated Polymers.

Examining Charge Transport Networks in Organic Bulk Heterojunction Photovoltaic Diodes using 1/f Noise Spectroscopy (2015)
Journal Article
Kaku, K., Williams, A., Mendis, B., & Groves, C. (2015). Examining Charge Transport Networks in Organic Bulk Heterojunction Photovoltaic Diodes using 1/f Noise Spectroscopy. Journal of Materials Chemistry C Materials for optical and electronic devices, 3(23), 6077-6085. https://doi.org/10.1039/c5tc00348b

In this article we present 1/f noise spectroscopy measurements relating to charge transport networks in poly(3-hexylthiophene) (P3HT):phenyl-C61-butyric acid methyl ester (PCBM) space-charge limited diode (SCLD) and organic photovoltaic (OPV) devices... Read More about Examining Charge Transport Networks in Organic Bulk Heterojunction Photovoltaic Diodes using 1/f Noise Spectroscopy.

Are hot charge transfer states the primary cause of efficient free-charge generation in polymer:fullerene organic photovoltaic devices? A kinetic Monte Carlo study (2014)
Journal Article
Jones, M., Dyer, R., Clarke, N., & Groves, C. (2014). Are hot charge transfer states the primary cause of efficient free-charge generation in polymer:fullerene organic photovoltaic devices? A kinetic Monte Carlo study. Physical Chemistry Chemical Physics, 16(38), 20310-20320. https://doi.org/10.1039/c4cp01626b

Kinetic Monte Carlo simulations are used to examine the effect of high-energy, ‘hot’ delocalised charge transfer (HCT) states for donor:acceptor and mixed:aggregate blends, the latter relating to polymer:fullerene photovoltaic devices. Increased full... Read More about Are hot charge transfer states the primary cause of efficient free-charge generation in polymer:fullerene organic photovoltaic devices? A kinetic Monte Carlo study.

Characterisation of Charge Conduction Networks in Poly(3-hexylthiophene)/Polystyrene Blends using Noise Spectroscopy (2014)
Journal Article
Williams, A., Farrar, P., Gallant, A., Atkinson, D., & Groves, C. (2014). Characterisation of Charge Conduction Networks in Poly(3-hexylthiophene)/Polystyrene Blends using Noise Spectroscopy. Journal of Materials Chemistry C Materials for optical and electronic devices, 2(9), 1742-1748. https://doi.org/10.1039/c3tc31849d

1/f noise spectroscopy is used to investigate charge conduction networks within polymer blend space-charge-limited diodes (SCLDs) fabricated from regioregular poly(3-hexylthiophene) (P3HT) and either isotactic-polystyrene (i-PS) or amorphous-polystyr... Read More about Characterisation of Charge Conduction Networks in Poly(3-hexylthiophene)/Polystyrene Blends using Noise Spectroscopy.

Monte Carlo Simulation of Geminate Pair Recombination Dynamics in Organic Photovoltaic Devices: Multi-Exponential, Field-Dependent Kinetics and Its Interpretation (2014)
Journal Article
Jones, L., Chakrabarti, B., & Groves, C. (2014). Monte Carlo Simulation of Geminate Pair Recombination Dynamics in Organic Photovoltaic Devices: Multi-Exponential, Field-Dependent Kinetics and Its Interpretation. Journal of Physical Chemistry C, 118(1), 85-91. https://doi.org/10.1021/jp408063f

Monte Carlo simulations are used to examine charge-transfer (CT) state recombination dynamics considering the effects of energetic disorder and bulk heterojunction morphology. Strongly biexponential recombination kinetics were observed, in agreement... Read More about Monte Carlo Simulation of Geminate Pair Recombination Dynamics in Organic Photovoltaic Devices: Multi-Exponential, Field-Dependent Kinetics and Its Interpretation.

Developing understanding of organic photovoltaic devices: kinetic Monte Carlo models of geminate and non-geminate recombination, charge transport and charge extraction (2013)
Journal Article
Groves, C. (2013). Developing understanding of organic photovoltaic devices: kinetic Monte Carlo models of geminate and non-geminate recombination, charge transport and charge extraction. Energy & Environmental Science, 6(11), 3202-3217. https://doi.org/10.1039/c3ee41621f

This Perspective discusses the physics, implementation and findings of Kinetic Monte Carlo (KMC) models applied to organic photovoltaic devices (OPVs). It is shown that KMC models can relate morphology and energy levels on the nano-scale to geminate... Read More about Developing understanding of organic photovoltaic devices: kinetic Monte Carlo models of geminate and non-geminate recombination, charge transport and charge extraction.

Plasmon-loss imaging of polymer-methanofullerene bulk heterojunction solar cells (2013)
Journal Article
Mendis, B. G., Bishop, S. J., Groves, C., Szablewski, M., Berlie, A., & Halliday, D. P. (2013). Plasmon-loss imaging of polymer-methanofullerene bulk heterojunction solar cells. Applied Physics Letters, 102(25), Article 253301. https://doi.org/10.1063/1.4812485

The plasmon feature in an electron energy loss spectrum provides unique insight into poly(3-hexylthiophene) (P3HT)-phenyl-C61-butyric acid methyl ester (PCBM) solar cells. Analysis of the intensity, shape, and energy of the plasmon reveals informatio... Read More about Plasmon-loss imaging of polymer-methanofullerene bulk heterojunction solar cells.

Suppression of geminate charge recombination in organic photovoltaic devices with a cascaded energy heterojunction (2013)
Journal Article
Groves, C. (2013). Suppression of geminate charge recombination in organic photovoltaic devices with a cascaded energy heterojunction. Energy & Environmental Science, 6(5), 1546-1551. https://doi.org/10.1039/c3ee24455e

The effect of cascaded energy heterojunctions on geminate charge recombination in organic photovoltaic devices is examined using a kinetic Monte Carlo model. The structure of the cascaded heterojunction, which encourages spatial separation of the gem... Read More about Suppression of geminate charge recombination in organic photovoltaic devices with a cascaded energy heterojunction.

Spectroscopic Imaging of Photopotentials and Photoinduced Potential Fluctuations in a Bulk Heterojunction Solar Cell Film (2012)
Journal Article
Luria, J., Hoepker, N., Bruce, R., Jacobs, A., Groves, C., & Marohn, J. (2012). Spectroscopic Imaging of Photopotentials and Photoinduced Potential Fluctuations in a Bulk Heterojunction Solar Cell Film. ACS Nano, 6(11), 9392-9401. https://doi.org/10.1021/nn300941f

We present spatially resolved photovoltage spectra of a bulk heterojunction solar cell film composed of phase-separated poly(9,9′-dioctylfluorene-co-benzothiadiazole) (F8BT) and poly(9,9′-dioctylfluorene-co-bis-N,N′-(4-butylphenyl)-bis-N,N′-phenyl-1,... Read More about Spectroscopic Imaging of Photopotentials and Photoinduced Potential Fluctuations in a Bulk Heterojunction Solar Cell Film.

The relative importance of domain size, domain purity and domain interfaces to the performance of bulk-heterojunction organic photovoltaics (2012)
Journal Article
Lyons, B., Clarke, N., & Groves, C. (2012). The relative importance of domain size, domain purity and domain interfaces to the performance of bulk-heterojunction organic photovoltaics. Energy & Environmental Science, 5(6), 7657-7663. https://doi.org/10.1039/c2ee21327c

The domain size, domain purity and interfacial width between domains for a bulk heterojunction are controllably altered through use of Cahn–Hilliard modeling and their relative effect on OPV performance is predicted using Monte Carlo modeling. It is... Read More about The relative importance of domain size, domain purity and domain interfaces to the performance of bulk-heterojunction organic photovoltaics.

Influence of annealing and interfacial roughness on the performance of bilayer donor/acceptor polymer photovoltaic devices (2010)
Journal Article
Yan, H., Swaraj, S., Wang, C., Hwang, I., Greenham, N., Groves, C., …McNeill, C. (2010). Influence of annealing and interfacial roughness on the performance of bilayer donor/acceptor polymer photovoltaic devices. Advanced Functional Materials, 20(24), 4329-4337. https://doi.org/10.1002/adfm.201001292

Through controlled annealing of planar heterojunction (bilayer) devices based on the polyfluorene copolymers poly(9,9-dioctylfluorene-co-bis(N,N′-(4,butylphenyl))bis(N,N′-phenyl-1,4-phenylene)diamine) (PFB) and poly(9,9-dioctylfluorene-co-benzothiadi... Read More about Influence of annealing and interfacial roughness on the performance of bilayer donor/acceptor polymer photovoltaic devices.

Simulation of loss mechanisms in organic solar cells: A description of the mesoscopic Monte Carlo technique and an evaluation of the first reaction method (2010)
Journal Article
Groves, C., Kimber, R., & Walker, A. (2010). Simulation of loss mechanisms in organic solar cells: A description of the mesoscopic Monte Carlo technique and an evaluation of the first reaction method. The Journal of Chemical Physics, 133(14), Article 144110. https://doi.org/10.1063/1.3483603

In this letter we evaluate the accuracy of the first reaction method (FRM) as commonly used to reduce the computational complexity of mesoscale Monte Carlo simulations of geminate recombination and the performance of organic photovoltaic devices. A w... Read More about Simulation of loss mechanisms in organic solar cells: A description of the mesoscopic Monte Carlo technique and an evaluation of the first reaction method.

New SPM techniques for analyzing OPV materials (2010)
Journal Article
Giridharagopal, R., Shao, G., Groves, C., & Ginger, D. (2010). New SPM techniques for analyzing OPV materials. Materials Today, 13(9), 50-56. https://doi.org/10.1016/s1369-7021%2810%2970165-6

Organic solar cells hold promise as an economical means of harvesting solar energy due to their ease of production and processing. However, the efficiency of such organic photovoltaic (OPV) devices is currently below that required for widespread adop... Read More about New SPM techniques for analyzing OPV materials.

New scanning probe microscopy techniques for analyzing organic photovoltaic materials and devices (2010)
Other
Giridharagopal, R., Shao, G., Groves, C., & Ginger, D. (2010). New scanning probe microscopy techniques for analyzing organic photovoltaic materials and devices

Organic photovoltaic (OPV) materials are an emerging alternative technology for converting sunlight into electricity. OPVs are potentially inexpensive to process, highly scalable in terms of manufacturing, and compatible with mechanically flexible su... Read More about New scanning probe microscopy techniques for analyzing organic photovoltaic materials and devices.

Heterogeneity in Polymer Solar Cells: Local Morphology and Performance in Organic Photovoltaics Studied with Scanning Probe Microscopy (2010)
Journal Article
Groves, C., Reid, O., & Ginger, D. (2010). Heterogeneity in Polymer Solar Cells: Local Morphology and Performance in Organic Photovoltaics Studied with Scanning Probe Microscopy. Accounts of Chemical Research, 43(5), 612-620. https://doi.org/10.1021/ar900231q

The use of organic photovoltaics (OPVs) could reduce production costs for solar cells because these materials are solution processable and can be manufactured by roll-to-roll printing. The nanoscale texture, or film morphology, of the donor/acceptor... Read More about Heterogeneity in Polymer Solar Cells: Local Morphology and Performance in Organic Photovoltaics Studied with Scanning Probe Microscopy.