Results 271 to 280 of about 1,497,004 (325)

Poly(1,4‐anthraquinone) as an Organic Electrode Material: Interplay of the Electronic and Structural Properties due to the Unusual Lone‐Pair‐π Conjugation

Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.
In this study, the unique role of the unusual lone‐pair‐π conjugation mechanism in poly(1,4‐anthraquinone) (P14AQ) is explored as an organic electrode material. Unlike traditional π‐π interactions, P14AQ's conjugation involves lone pairs of oxygen atoms interacting with the π cloud of adjacent units, enabling stable charge transport even with minimal π‐
Xiaotong Zhang, Piotr de Silva
wiley   +1 more source

Influences of Pre-Existing Fissure Angles and Bridge Angles on Concrete Tensile Failure Characteristics: Insights from Meshless Numerical Simulations. [PDF]

Materials (Basel)
Hu C, Li T, Fu Z, Mao H, Wang S, Liang Z, Yu S.   +6 more
europepmc   +1 more source

Removing Homocoupling Defects in Alkoxy/Alkyl‐PBTTT Enhances Polymer:Fullerene Co‐Crystal Formation and Stability

Advanced Functional Materials, EarlyView.
PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu, Jochen Vanderspikken, Paola Mantegazza, Stefania Moro, Mouna Hamid, Sigurd Mertens, Niko Van den Brande, Laurence Lutsen, Vincent Lemaur, David Beljonne, Giovanni Costantini, Koen Vandewal, Bruno Van Mele, Wouter Maes, Bart Goderis   +14 more
wiley   +1 more source

Numerical simulations on compression behaviors of the laminated shale based on the digital image technology and the discrete element method. [PDF]

Sci Rep
Wang Z, Ding X, Liu J, Fu LY.
europepmc   +1 more source

Application of numerical simulation methodology to automotive combustion. Project status report, October 28-November 24, 1978

, 1978

openalex   +2 more sources

Photo‐Assisted Zn‐Iodine Battery via Bifunctional Cathode with Iodine Host and Solar Response Boost

Advanced Functional Materials, EarlyView.
A bifunctional cathode based on BiOI materials is developed for photo‐assisted Zn‐iodine batteries, serving as both an iodine host and a solar‐responsive material. This design enables dual reaction routes involving vacancy‐based iodine storage and reversible two steps iodine redox.
Hai Xu, Wanli Gao, Hui Dou, Xiaogang Zhang, Martin Pumera   +4 more
wiley   +1 more source

A mathematical model for varicella-zoster and HIV co-dynamic supported by numerical simulations. [PDF]

PLoS One
Kotola BS.
europepmc   +1 more source

Assessment of the potential for slope failure on the basis of numerical simulation of ground water conditions.

, 1978
Charles Hotzel
openalex   +2 more sources

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

3D numerical simulations of mixed convective heat transfer and correlation development for a thermal manikin head. [PDF]

Heliyon
Alali Z, Eckels SJ.
europepmc   +1 more source