82 citations · 82 across the 3 of their papers we have counts for
4 papers
Solphin: Photovoltaic efficiency analysis for bulk materials using Python
Philippa U Cox, Peter P Russell, Andrea Crovetto +3
In the development of photovoltaic materials, computational simulation has become a important tool for reducing the time and cost of exploring novel materials, as well as providing…
Revealing low-energy surfaces of multinary compounds by controlling surface coordination environments
Weihang Xie, Harshan Reddy Gopidi, Zhengyu Liu +5
When modeling surfaces of multinary compounds, conventional cleavage planes often cut through strongly bonded polyhedra, resulting in unphysical surface energies. Here, we introduc…
Accessing both electrochemical SEIRA and SERS with ultrasensitive metamaterials for enhanced molecular identification
Nicolas Spiesshofer, Tabitha Jones, Sarah May Sibug Torres +11
Surface-enhanced IR absorption (SEIRA) and surface-enhanced Raman spectroscopy (SERS) are complementary techniques that allow for ultrasensitive chemical fingerprinting. Non-invasi…
doped: Python toolkit for robust and repeatable charged defect supercell calculations
Seán R. Kavanagh, Alexander G. Squires, Adair Nicolson +6
Defects are a universal feature of crystalline solids, dictating the key properties and performance of many functional materials. Given their crucial importance yet inherent diffic…