Results 211 to 220 of about 50,608 (301)

Bridging efficiency and stability in organic solar cells: architectural design, degradation insights, and emerging mitigation strategies. [PDF]

RSC Adv
Irfan M, Akash A, Sultan N, Janjua MRSA.
europepmc   +1 more source

Enhanced Efficiency and Thermal Stability in All‐Polymer p‐i‐n Organic Photovoltaics With Synergistically Designed Second Polymer Acceptor

Small, EarlyView.
Incorporation of a synergistic selenophene‐substituted acceptor, PYISe‐BO‐OD into PYIT‐OD, enabled PM6/PYIT‐OD:PYISe‐BO‐OD all‐polymer p‐i‐n organic photovoltaics with PCE and T80 value of 19.1% and 3415 h, substantially outperforming PM6/PYIT‐OD devices (16.3%, 937 h).
Tzu‐Ching Lu, Bin Chang, Yu‐Wei Su, Bing‐Huang Jiang, Chi‐Hsuan Lee, Chung‐Hao Chen, Chih‐Ping Chen, Atsushi Yabushita, Chun‐Wei Pao, Kung‐Hwa Wei   +9 more
wiley   +1 more source

Effect of boron-doping and electric field on CO₂ adsorption on C₆₀ fullerene. A DFT study. [PDF]

J Mol Model
Domínguez-Trujillo MDC, Dorazco-González A, Mandujano-Ramírez HJ, Flores-Chan JE, Sierra-Grajeda JMT, Martinez-Vargas S.   +5 more
europepmc   +1 more source

Understanding the Dynamics of Mechanically Interlocked Molecular Systems via Metadynamics Simulations

The Chemical Record, EarlyView.
This Personal Account discusses how molecular simulations help uncover motion, shuttling mechanisms, and kinetics in mechanically interlocked molecules such as rotaxanes and catenanes. Mechanically interlocked molecules, such as rotaxanes and catenanes, display complex internal dynamics and reciprocal motions that are central to their use as artificial
Clara Sabrià, Luigi Leanza, Massimo Delle Piane, Max von Delius, Ferran Feixas, Xavi Ribas, Giovanni M. Pavan   +6 more
wiley   +1 more source

Resource Availability Modulates Effects of Fluorine Free Firefighting Foams

Environmental Toxicology, EarlyView.
ABSTRACT Fluorine‐free foam (F3) alternatives that lack per‐ and polyfluoroalkyl substances (PFAS) are rapidly being adopted for firefighting operations and will be entering ecosystems. Despite this, little is known about their impact on freshwater communities.
Jack D. Morehouse, Lucas A. Cacula, Jason T. Hoverman   +2 more
wiley   +1 more source

Theoretical Insights into the Stability and Electronic Properties of Sc₃N@C₇₄. [PDF]

ACS Omega
Gu YX, Wan JY, Gao BQ, Li DH, Li MY, Guo Y.   +5 more
europepmc   +1 more source

Decoding non-fullerene acceptors for organic solar cells: a theoretical structure-property-performance perspective. [PDF]

RSC Adv
Murtaza HU, Sultan N, Janjua MRSA.
europepmc   +1 more source

PrimeXP: Python retro‐interactive model editor, inspired by XP

Journal of Applied Crystallography, EarlyView.
PrimeXP is a modern Python/OpenGL re‐interpretation of George Sheldrick's classic model editing, analysis and publication‐quality graphics preparation program XP.PrimeXP is an open‐source Python/OpenGL interactive molecular graphics and analysis program, ostensibly for small‐molecule crystallography, that was inspired by George Sheldrick's classic XP ...
Sean Parkin
wiley   +1 more source