Results 161 to 170 of about 46,720 (301)

Trap Depth Modulation and Antenna Effect of Organic Ligands for Enhancing Rare‐Earth Long Persistent Luminescence

Advanced Science, EarlyView.
Different from the current research trends that mainly focus on optimizing a single color system, a universal organic–inorganic hybrid strategy is proposed, aiming to synergistically enhance the luminescent properties of red, green, and blue multi‐color inorganic long‐persistent phosphorescent materials by trap depth modulation and antenna effect of ...
Ting Tan, Nian Li, Bangmin Liu, Hao Wang, Xia Huang, Yuanjin Chen, Zhonghao Wang, Chaolong Yang   +7 more
wiley   +1 more source

Electronic transport in radial π-conjugated macrocyclic molecules: a density functional theory study. [PDF]

RSC Adv
Govindarajan S, Ramya K, Ravva MK, Mukhopadhyay S.   +3 more
europepmc   +1 more source

Tailored D‐π Conjugation Boosts Piezocatalytic CO2 Reduction in a Platinum(II)‐Acetylide Framework

Advanced Science, EarlyView.
The highly conjugated metalII‐acetylide framework demonstrates efficient ultrasound‐driven conversion of CO2 to CO. The piezoelectric field generated by ultrasound facilitates electron transfer from the tetraphenylene π‐column to the MII‐bis(acetylide) moiety, enabling CO2 activation. Compared to PdII‐ and NiII‐based analogues, the stronger d–π orbital
Mude Zhu, Yingtang Zhou, Kai Wang, Xiaoyun Fan, Yang Ding, Wai‐Yeung Wong, Linli Xu   +6 more
wiley   +1 more source

Electric Field Effects on the Optoelectronic Properties of Fluorinated Heptyl-Bicyclohexyl-Biphenyl: A TD-DFT Investigation. [PDF]

ACS Omega
Trabelsi J, Esboui M.
europepmc   +1 more source

Aromaticity‐Engineered Open‐Shell Radical Anions for Air‐Stable Doublet Emission in N‐Annulated Perylene Diimide

Advanced Science, EarlyView.
Open‐shell type radical anions with stable doublet emission have been synthesized that feature aromaticity engineering, through‐space charge‐transfer (TSCT), and electro(fluoro)chromism. ABSTRACT We report the doublet emissive open‐shell radical anions, where the N‐annulated perylene diimide (PDIN–H) is functionalized with aromatic rings.
Jeongyoon Kim, Soyoon Lee, Min‐Ji Kim, Mina Ahn, Kyung‐Ryang Wee   +4 more
wiley   +1 more source

Comparative study of armchair and zigzag graphene quantum dots as HIV-1 protease inhibitors. [PDF]

Sci Rep
Ibrahim A, Elhaes H, Ibrahim MA.
europepmc   +1 more source

Rare‐Earth Mediated Engineering in ZnSe@ZnS:Eu3+ to Simultaneously Achieve Structural Modulation and Atomic Eu Doping Sites for X‐Ray Imaging

Advanced Science, EarlyView.
A dual hard‐base anchoring strategy was developed to synthesize ZnSe@ZnS:Eu3+ quantum dots, leveraging fluoride‐oleylamine interactions to create surface atomic Eu doping sites. By precisely tuning temperature, Eu3+ concentration, and fluoride levels, we obtain morphologies ranging from tip growth to coupled flower‐like structures.
Jicun Ma, Chenhao Yang, Jiada Fan, Haorong Jiao, Jiawang Liu, Jialiang Xu, Hui Cai, Yinghui Wang, Boyuan Shen, Jiabin Cui   +9 more
wiley   +1 more source

Integrated xTB and simplified Tamm-Dancoff analysis of composition-dependent electronic structure in GaInZnP/ZnSe_yS_1-y core/shell quantum dots with DFT and TDDFPT benchmarking. [PDF]

J Mol Model
Adegoke O, Achadu OJ.
europepmc   +1 more source

Beyond Electrostatics: Anion‐π+ Orbital Hybridization Underpins High‐Performance Chloride Storage in Poly(arylamine) Organic Cathodes

Advanced Science, EarlyView.
The fundamental nature of anion storage in p‐type organic cathodes is elucidated using rigid poly(arylamine) frameworks. This study reveals a hybrid covalent‐ionic mechanism for anion‐π+ interactions, driven by synergistic orbital hybridization and electrostatic attraction.
Tiantian She, Jiena Weng, Jie Wang, Qiao Xi, Yangyang Zhang, Zijie Zhang, Zongqiong Lin, Wei Huang   +7 more
wiley   +1 more source

When Do Band Gap Calculations Agree with Experiments in Monolayer-Protected Cu₁₄ and Au₂₀ Atomically Precise Nanoclusters? A (TD)-DFT Comparison of HOMO-LUMO, Fundamental, Optical, and Electrochemical Energy Gaps. [PDF]

J Phys Chem C Nanomater Interfaces
Elhajj S, Sarkar A, Wang Y, Jin R, Hu G, Wang G, Gozem S.   +6 more
europepmc   +1 more source