activity
20202026
most citedDelocalised kinetic Monte Carlo for simulating delocalisation-enhanced charge and exciton transport in disordered materials

51 citations · 172 across the 7 of their papers we have counts for

collaborators

7 papers

cond-mat.mtrl-sci2026

Delocalisation explains efficient transport and charge generation in neat Y6 organic photovoltaics

Daniel Balzer, Paul A. Hume, Geoffrey R. Weal +2

Non-fullerene acceptors (NFA), such as Y6, have significantly improved the efficiency of organic photovoltaic devices (OPVs). However, the fundamental processes behind the high eff…

cond-mat.mtrl-sci2023★ 32 cited

Delocalisation enables efficient charge generation in organic photovoltaics, even with little to no energetic offset

Daniel Balzer, Ivan Kassal

Organic photovoltaics (OPVs) are promising candidates for solar-energy conversion, with device efficiencies continuing to increase. However, the precise mechanism of how charges se…

physics.chem-ph2023★ 1 cited

Fast and Accurate Simulations of Partially Delocalised Charge Separation in Organic Semiconductors

Jacob T. Willson, Daniel Balzer, Ivan Kassal

Accurate computational screening of candidate materials promises to accelerate the discovery of higher-efficiency organic photovoltaics (OPVs). However, modelling charge separation…

physics.chem-ph2022★ 25 cited

Mechanism of delocalisation-enhanced exciton transport in disordered organic semiconductors

Daniel Balzer, Ivan Kassal

Large exciton diffusion lengths generally improve the performance of organic semiconductor devices, since they enable energy to be transported farther during the exciton lifetime.…

physics.chem-ph2022★ 15 cited

Jumping kinetic Monte Carlo: Fast and accurate simulations of partially delocalised charge transport in organic semiconductors

Jacob T. Willson, William Liu, Daniel Balzer +1

Developing devices using disordered organic semiconductors requires accurate and practical models of charge transport. In these materials, charge transport occurs through partially…

physics.chem-ph2021★ 48 cited

Even a little delocalization produces large kinetic enhancements of charge-separation efficiency in organic photovoltaics

Daniel Balzer, Ivan Kassal

In organic photovoltaics, charges can separate efficiently even if their Coulomb attraction is an order of magnitude greater than the available thermal energy. Delocalization has b…

physics.chem-ph2020★ 51 cited

Delocalised kinetic Monte Carlo for simulating delocalisation-enhanced charge and exciton transport in disordered materials

Daniel Balzer, Thijs J. A. M. Smolders, David Blyth +2

Charge transport is well understood in both highly ordered materials (band conduction) or highly disordered ones (hopping conduction). In moderately disordered materials -- includi…