33 citations · 33 across the 3 of their papers we have counts for
5 papers
Quantum Computation for Periodic Solids in Second Quantization
Aleksei V. Ivanov, Christoph Sünderhauf, Nicole Holzmann +4
In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubi…
Identifying the Structural Basis for the Increased Stability of the Solid Electrolyte Interphase Formed on Silicon with the Additive Fluoroethylene Carbonate
Yanting Jin, Nis-Julian H. Kneusels, Pieter C. M. M. Magusin +8
To elucidate the role of fluoroethylene carbonate (FEC) as an additive in the standard carbonate-based electrolyte for Li-ion batteries, the solid electrolyte interphase (SEI) form…
Exfoliation of layered Na-ion anode material Na2Ti3O7 for enhanced capacity and cyclability
Maria A. Tsiamtsouri, Phoebe K. Allan, Andrew J. Pell +6
We report the exfoliation of layered Na2Ti3O7, a promising anode material for Na-ion batteries, and restacking using HNO3 and NaOH to form H-Ti3O7 and Na(x)-Ti3O7 compositions, res…
The Effect of Water on Quinone Redox Mediators in Non- aqueous Li-O2 Batteries
Tao Liu, James T. Frith, Gunwoo Kim +8
The parasitic reactions associated with reduced oxygen species and the difficulty in achieving the high theoretical capacity have been major issues plaguing development of practica…
Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics
Volker L. Deringer, Noam Bernstein, Albert P. Bartók +6
Amorphous silicon (a-Si) is a widely studied non-crystalline material, and yet the subtle details of its atomistic structure are still unclear. Here, we show that accurate structur…