InP colloidal quantum dots for visible and near-infrared photonics

G Almeida, RF Ubbink, M Stam, I du Fossé… - Nature Reviews …, 2023 - nature.com
Owing to their tunable band gap, high absorption coefficient, narrow emission linewidths
and unrestricted composition, InP-based colloidal quantum dots (QDs) have become …

Material design for photocatalytic water splitting from a theoretical perspective

CF Fu, X Wu, J Yang - Advanced materials, 2018 - Wiley Online Library
Currently, problems associated with energy and environment have become increasingly
serious. Producing hydrogen, a clean and renewable resource, through photocatalytic water …

Highly stable and pure single-photon emission with 250 ps optical coherence times in InP colloidal quantum dots

AH Proppe, DB Berkinsky, H Zhu, T Šverko… - Nature …, 2023 - nature.com
Quantum photonic technologies such as quantum communication, sensing or computation
require efficient, stable and pure single-photon sources. Epitaxial quantum dots (QDs) have …

Economic and Size-Tunable Synthesis of InP/ZnE (E= S, Se) Colloidal Quantum Dots.

MD Tessier, D Dupont, K De Nolf, J De Roo… - Chemistry of …, 2015 - ACS Publications
We present synthesis protocols, based on indium halide and aminophosphine precusors,
that allow for the economic, up-scaled production of InP quantum dots (QDs). The reactions …

Perspective: Kohn-Sham density functional theory descending a staircase

HS Yu, SL Li, DG Truhlar - The Journal of chemical physics, 2016 - pubs.aip.org
This article presents a perspective on Kohn-Sham density functional theory (KS-DFT) for
electronic structure calculations in chemical physics. This theory is in widespread use for …

Designing Z-scheme CdS/WS2 heterojunctions with enhanced photocatalytic degradation of organic dyes and photoreduction of Cr (VI): Experiments, DFT …

G Wang, K Dou, H Cao, R Du, J Liu, N Tsidaeva… - Separation and …, 2022 - Elsevier
In this work, Z-scheme CdS/WS 2 heterojunctions with high-efficiency photocatalytic
degradation for organic dyes and photoreduction for Cr (VI) were designed using a …

Engineering 2D materials for photocatalytic water-splitting from a theoretical perspective

M Jakhar, A Kumar, PK Ahluwalia, K Tankeshwar… - Materials, 2022 - mdpi.com
Splitting of water with the help of photocatalysts has gained a strong interest in the scientific
community for producing clean energy, thus requiring novel semiconductor materials to …

Band alignment of the hybrid halide perovskites CH 3 NH 3 PbCl 3, CH 3 NH 3 PbBr 3 and CH 3 NH 3 PbI 3

KT Butler, JM Frost, A Walsh - Materials Horizons, 2015 - pubs.rsc.org
Organic–inorganic halide perovskites efficiently convert sunlight to electricity in solar cells.
The choice of halide (Cl, Br or I) can be used to chemically tune the spectral response of the …

Implementation and Validation of Fully Relativistic GW Calculations: Spin–Orbit Coupling in Molecules, Nanocrystals, and Solids

P Scherpelz, M Govoni, I Hamada… - Journal of chemical …, 2016 - ACS Publications
We present an implementation of G 0 W 0 calculations including spin–orbit coupling (SOC)
enabling investigations of large systems, with thousands of electrons, and we discuss results …

Hydride-based antiperovskites with soft anionic sublattices as fast alkali ionic conductors

S Gao, T Broux, S Fujii, C Tassel, K Yamamoto… - Nature …, 2021 - nature.com
Most solid-state materials are composed of p-block anions, only in recent years the
introduction of hydride anions (1s2) in oxides (eg, SrVO2H, BaTi (O, H) 3) has allowed the …