Results 181 to 190 of about 89,902 (264)

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

Advanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

The Air Stability of Sodium Layered Oxide NaTMO₂ (100) Surface Investigated via DFT Calculations. [PDF]

Nanomaterials (Basel)
Li H, Xue Q, Li S, Wang X, Hou Y, Sun C, Wang C, Sheng G, Sheng P, Bai H, Xu L, Qian Y.   +11 more
europepmc   +1 more source

Phase Engineering of Nanomaterials (PEN): Evolution, Current Challenges, and Future Opportunities

Advanced Materials, EarlyView.
This review summarizes the synthesis, phase transition, advanced characterization spanning ex situ to in situ and operando techniques, and diverse applications of phase engineering of nanomaterials (PEN). It further outlines key challenges and future opportunities, such as phase stability, architecture control, and artificial intelligence (AI)‐driven ...
Ye Chen, Zhanxi Fan, Jingjie Ge, Qiyuan He, Zhuangchai Lai, Jiawei Liu, Chaoliang Tan, Hua Zhang   +7 more
wiley   +1 more source

Green Hydrothermal Synthesis of 5‑Phenyl-1H-tetrazole through Cycloaddition [3 + 2] Using Co(II) as Catalyst: Statistical Optimization by Response Surface Methodology (RSM) and DFT Calculations. [PDF]

ACS Omega
Alarcon-Gonzales Del Valle J, Garcia-Villegas V, Santiago-Contreras J.   +2 more
europepmc   +1 more source

Ratiometric Mycotoxin Detection in Living Plants With Dual‐Emissive Nanosensors

Advanced Materials, EarlyView.
A minimally invasive microneedle patch integrates carbon dot‐embedded metal–organic frameworks as nanosensors to detect a key fungal toxin in living plants. The nanosensor produces a ratiometric fluorescence signal that enables early, non‐destructive diagnosis of fungal infection before visible symptoms, offering a new biomaterials‐based strategy for ...
Yuliang Li, Di Shen, Ziyang Huang, Suppanat Puangpathumanond, Calvin Thenarianto, Yue Zhao, Jolly Madathiparambil Saju, Rajani Sarojam, Dongmei Zhou, Tedrick Thomas Salim Lew   +9 more
wiley   +1 more source

Temperature responsive aluminum manganese doped carbon dot sensors for enhanced electrical conductivity with DFT calculations. [PDF]

Sci Rep
El-Nasharty M, El-Sakhawy M, Tohamy HS.
europepmc   +1 more source

Sonoenzymatically Triggered Cascading Degradation of Bioresorbable Materials for On‐Demand Transient Triboelectric Implants

Advanced Materials, EarlyView.
Our SEA strategy provides an efficient and biosafe approach for the on‐demand removal of implanted bioresorbable materials through cascading degradation that couples ultrasound‐triggered rapid mechanical disintegration with subsequent enzymatic degradation.
Jinsong Kim, Dong‐Min Lee, Youngwook Chung, Byung‐Joon Park, Hyeon Mo, Jong Won Seon, Han‐Yup Yum, Bosung Kim, Byung‐Ok Choi, Sang‐Woo Kim   +9 more
wiley   +1 more source

Visualization of the local dipole moment at the Si(111) surface using DFT calculations. [PDF]

Sci Rep
Sumiyoshi A, Yamasue K, Cho Y, Nakamura J.   +3 more
europepmc   +1 more source

MOCVD‐Grown MoS2 Wafers as a Transfer‐Free Platform for Top‐Gate Devices via Dry Interface Engineering

Advanced Materials, EarlyView.
We reveal the electronic origin of hidden interfacial doping in monolayer MoS2 grown by MOCVD, identifying sulfate related and water like species as intrinsic donors. Through dry interface engineering approach, we demonstrate MOCVD‐grown single‐crystal MoS2 wafers as a transfer‐free platform for the reliable evaluation of intrinsic gate stacks and ...
Shuhong Li, Juiteng Chang, Keisuke Atsumi, Kosei Matsumoto, Itsuki Tanaka, Tomonori Nishimura, Kaito Kanahashi, Takahiro Nagata, Jun Nara, Yoshiki Sakuma, Emi Kano, Nobuyuki Ikarashi, Kosuke Nagashio   +12 more
wiley   +1 more source

Photophysical behaviour, solvatochromism, and silver nanoparticle-induced superquenching of (E, E)-2,5-Bis(3,4,5-trimethoxystyryl) pyrazine with DFT calculations. [PDF]

Sci Rep
Okba EA, Hanafi YM, Fayed TA, Sakr MAS, El-Daly SA.   +4 more
europepmc   +1 more source