Design of organic–inorganic hybrid heterostructured semiconductors via high-throughput materials screening for optoelectronic applications

Y Li, J Yang, R Zhao, Y Zhang, X Wang… - Journal of the …, 2022 - ACS Publications
Organic–inorganic hybrid semiconductors, of which organometal halide perovskites are
representative examples, have drawn significant research interest as promising candidates …

Domain Size, Temperature, and Time Dependence of Photodegradation in MAPbI3 Probed by Raman Spectroscopy

JF Castaneda, JH Im, Y Liu, S Liu, NG Park… - ACS Energy …, 2022 - ACS Publications
Organic–inorganic hybrid perovskites display remarkable photovoltaic properties, but
instability arises from the material's surface and photoexcitation. The photodegradation …

Recent progress on degradation mechanism and antioxidation of low-dimensional black phosphorus

M Fu, J Li, W Yang, Y Zhang, P Yang - 2D Materials, 2024 - iopscience.iop.org
Among the allotropes of phosphorus, black phosphorus (BP) is one of the most
thermodynamically stable structures. Due to its unique physical and chemical properties, BP …

II-VI based organic-inorganic hybrid structures: Brief review and perspective

Y Zhang - Journal of Luminescence, 2022 - Elsevier
Translational symmetry is the signature of a crystal. Organic-inorganic hybrid materials can
be classified in four levels according to the degree of deviating from this strict definition of …

Degradation Kinetics of Organic–Inorganic Hybrid Materials from Micro‐Raman Spectroscopy and Density‐Functional Theory: The Case of β‐ZnTe(en)0.5

T Ye, YY Sun, M Kocherga, A Nesmelov… - Small, 2023 - Wiley Online Library
Organic–inorganic hybrid materials often face a stability challenge. β‐ZnTe (en) 0.5, which
uniquely has over 15‐year real‐time degradation data, is taken as a prototype structure to …

Resonant interactions involving local vibrational modes in crystals

MD McCluskey - Journal of Applied Physics, 2023 - pubs.aip.org
When an impurity with a light mass is inserted into a crystal, it can undergo a high-frequency
oscillation referred to as a local vibrational mode (LVM). A Fermi resonance may occur …

Bandgap engineering of ZnX (X= O, S, Se, Te) QDs/Graphene nanocomposites: Towards the designing of a highly efficient light-harvesting device

KD Dihingia, S Saha, GN Sastry - Journal of Physics and Chemistry of …, 2022 - Elsevier
Increasing the power conversion efficiency (PCE) of photovoltaic devices (PVDs) is a topic of
fundamental importance not only for academia but also for industry. In this study, we …

Probing the Edges between Stability and Degradation of a Series of ZnSe‐Based Layered Hybrid Semiconductors

M Yan, CA Myers, GM John, VE Meyers… - Advanced Materials …, 2022 - Wiley Online Library
The discovery of layered materials with potentially unique electrical and chemical properties
has become a major focus of materials research in the past decade. 2D II–VI layered hybrids …

(Yb3+, Mn2+) Co-doped CdTe nanocrystals with enhanced quantum yields and red-shift emission

Z Xiaoyong, G Junfang, W Jun, H Lina, T Runze… - Journal of the Indian …, 2022 - Elsevier
We prepared the nanocrystals (NCs) of CdTe, CdTe: Yb, and CdTe: Yb, Mn vis water phase
synthesis and examined their structural, morphological, and optical properties. All NCs have …

[图书][B] Turning Density Functional Theory Calculations into Molecular Mechanics Simulations: Establishing the Fluctuating Density Model for RNA Nucleobases

CA Myers - 2022 - search.proquest.com
Molecular mechanics (MD) simulations and density functional theory (DFT) have been the
backbone of computational chemistry for decades. Due to its accuracy and computational …