Optical harmonic generation in 2D materials
Abstract 2D materials are emerging as ideal candidates for fundamental investigations and
new technologies due to their unique optoelectronic properties. Giant nonlinear …
new technologies due to their unique optoelectronic properties. Giant nonlinear …
Nonlinear optics of graphitic carbon allotropes: from 0D to 3D
Z Tan, J Dong, Y Liu, Q Luo, Z Li, T Yun, T Jiang… - Nanoscale, 2025 - pubs.rsc.org
The dimensionality of materials fundamentally influences their electronic and optical
properties, presenting a complex interplay with nonlinear optical (NLO) characteristics that …
properties, presenting a complex interplay with nonlinear optical (NLO) characteristics that …
Boosting photocatalytic CO2 reduction efficiency by graphene nanoflakes (GNF) decorated ZIF-67 under visible light irradiation
The design and development of sustainable and cost-effective photocatalysts necessitate
significant effort for improved CO 2 reduction efficiency. Metal-organic frameworks (MOFs) …
significant effort for improved CO 2 reduction efficiency. Metal-organic frameworks (MOFs) …
First-principles study of linear and nonlinear optical properties of multi-layered borophene
Anisotropic materials are of great interest due to their unique direction-dependent optical
properties. Borophene, the two-dimensional analog of graphene consisting of boron atoms …
properties. Borophene, the two-dimensional analog of graphene consisting of boron atoms …
Possible NLO response and electrical/charge transfer capabilities of natural anthraquinones as p-type organic semiconductors: a DFT approach
PUN Krishna, K Muraleedharan - Journal of Molecular Modeling, 2024 - Springer
Abstract Context Organic semiconductors (OSCs) have attracted a great deal of interest in
recent days. There are various types of OSCs, among which small molecules have various …
recent days. There are various types of OSCs, among which small molecules have various …
Intercalating-induced second-harmonic generation in centrosymmetric multilayer graphene
G Zeng, Z Fang, C Qin, L **ao, S Jia - Applied Physics Letters, 2023 - pubs.aip.org
Second-harmonic generation (SHG) is a nonlinear optical process, where two incident
photons coherently combine into one photon with double the energy, which is important for …
photons coherently combine into one photon with double the energy, which is important for …
Two-photon absorption in bioactive C4-substituted Coumarin derivatives: Impact of electron-withdrawing and donating groups in different environment
The versatile applications of coumarin derivatives in materials processing, fluorescence
imaging, data storage, and photodynamic therapy have sparked considerable interest in …
imaging, data storage, and photodynamic therapy have sparked considerable interest in …
First-Principles Study of the Electronic and Optical Properties of Sn-BeO Heterostructure
We have explored the electronic and optical properties of the stanene–BeO heterostructure
using density functional theory (DFT), including van der Waals interaction using the DFT-D3 …
using density functional theory (DFT), including van der Waals interaction using the DFT-D3 …
[HTML][HTML] Exploring the spectral and nonlinear optical properties of phenyl isothiocyanate through density functional theory and molecular docking studies: A …
S Thiruvangoth - Hybrid Advances, 2024 - Elsevier
Quantum chemical calculations employing Density Functional Theory (DFT) with 6–31G (d,
p) basis sets have yielded valuable insights into the molecular structure, Frontier Molecular …
p) basis sets have yielded valuable insights into the molecular structure, Frontier Molecular …
Electronic Structure Calculations of Static Hyper (Polarizabilities) of Substrate-Supported Group-IV and-V Elemental Monolayers
The substrate-induced effects on the polarizability (α) and first dipole hyperpolarizability (β)
of group-IV (ie, graphene, silicene, germanene, stanene) and group-V (ie, phosphorene …
of group-IV (ie, graphene, silicene, germanene, stanene) and group-V (ie, phosphorene …