First Principles Study of Photocatalytic Water Splitting Hydrogen Production by SiI2 Nanotubes
H Zhao, H Song, Y Zhu, C Wang, X Hui, L Zhang - Catalysis Letters, 2025 - Springer
We use density functional theory (DFT) to calculate the optimal parameters of atomic
arrangement, energy level and electronic structure of sawtooth (n, 0) nanotubes in this …
arrangement, energy level and electronic structure of sawtooth (n, 0) nanotubes in this …
Excitons in nonlinear optical responses: shift current in MoS and GeS monolayers
JJ Esteve-Paredes, MA García-Blázquez… - arXiv preprint arXiv …, 2024 - arxiv.org
It is well-known that exciton effects are determinant to understand the optical absorption
spectrum of low-dimensional materials. However, the role of excitons in nonlinear optical …
spectrum of low-dimensional materials. However, the role of excitons in nonlinear optical …
Unconventional p-wave magnets as sources of nonlinear photocurrents
J Sivianes, FJ Santos, J Ibañez-Azpiroz - arXiv preprint arXiv:2406.19842, 2024 - arxiv.org
The concept of spin symmetries has gained renewed interest as a valuable tool for
classifying novel magnetic phases, including altermagnets and recently identified …
classifying novel magnetic phases, including altermagnets and recently identified …
Theoretical Studies of Flexo-effects in Inorganic Janus Nanotubes
K Zheng - 2024 - orbit.dtu.dk
One of the most pressing limitations of the use of nanotubes in devices is that they are often
synthesized in a variety of sizes and shapes, with different numbers of walls. As material …
synthesized in a variety of sizes and shapes, with different numbers of walls. As material …
Ultrafast shift current dynamics in monolayer
The shift current effect, in materials lacking inversion symmetry, may potentially allow the
performance of photovoltaics to surpass the Shockley-Queisser limit for traditional pn …
performance of photovoltaics to surpass the Shockley-Queisser limit for traditional pn …
Influence of Coulomb interaction on interband photogalvanic effect in semiconductors
GV Budkin, EL Ivchenko - arXiv preprint arXiv:2409.05571, 2024 - arxiv.org
The ballistic and shift contributions to the interband linear photogalvanic effect are
calculated in the same band structure model of a noncentrosymmetric semiconductor. The …
calculated in the same band structure model of a noncentrosymmetric semiconductor. The …