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 In2O3@ ZnIn2S4 core-shell heterojunctions for enhanced photocatalytic multi-pollutant removal

H Fu, Y Deng, Z Cai, Y Pan, L Yang, T Fujita… - Journal of Hazardous …, 2024‏ - Elsevier
In water bodies, the coexistence of and interaction between multiple pollutants complicate
remediation. In this study, the In 2 O 3@ ZnIn 2 S 4 Z-scheme heterojunction with a stratified …

Novel high entropy alloy/NiAl2O4 photocatalysts for the degradation of tetracycline hydrochloride: heterojunction construction, performance evaluation and …

X Yu, S Wang, Y Zhang, H Gao, X Zhou, D Li… - Ceramics …, 2024‏ - Elsevier
Abstract Novel NiAl 2 O 4 (NAO)/high entropy alloy (HEA)(Ti), NAO/HEA (Mn) and NAO/HEA
(Mo) heterojunction photocatalysts with high photocatalytic activity for the degradation of …

Design and exploration of semiconductors from first principles: A review of recent advances

F Oba, Y Kumagai - Applied Physics Express, 2018‏ - iopscience.iop.org
Recent first-principles approaches to semiconductors are reviewed, with an emphasis on
theoretical insight into emerging materials and in silico exploration of as-yet-unreported …

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 …

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 …