Results 191 to 200 of about 19,326,268 (252)

Non-adiabatic effects in the photodissociation of H₂S.

Phys Chem Chem Phys
Perri AN, Mitrushchenkov AO, Yurchenko SN, Tennyson J.   +3 more
europepmc   +1 more source

Atomic-Level Synergy of Dual Single-Atom Catalysts for Photocatalytic Hydrogen Evolution Reaction. [PDF]

Small
Islam H, Mishra G, Biswas B, Jaksani B, Bhatt H, Das S, Ghosh HN, Mahatha SK, Ghosh K, Sarma BB, Ghosh S, Pal U.   +11 more
europepmc   +1 more source

Thermodynamic Limits to Molecular Doping in Conjugated Polymers: A Perspective on Phase Behavior and Miscibility

Advanced Materials, EarlyView.
Molecular doping of conjugated polymers is fundamentally constrained by thermodynamic phase behavior. This Perspective reframes doping efficiency and stability in terms of miscibility limits, binodals, and solvus boundaries, highlighting the role of effective interaction parameters and charge transfer.
Somayeh Kashani, Justin Neu, Sung‐Joo Kwon, Runqio Song, Zixuan Chen, Tajah Trapier, Paschalis Gkoupidenis, David Ginger, Wei You, Jasper J. Michels, Harald Ade   +10 more
wiley   +1 more source

Efficient Auxiliary-Field Quantum Monte Carlo Using Isometric Tensor Hypercontraction. [PDF]

J Chem Theory Comput
Luo M, Chen V, Wang Y, Mendl CB.
europepmc   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Improving Long-Range Intramolecular Proton Transfer-Further Molecular Design Using the Successful Molecular Switch 8-(Benzo[d]thiazol-2-yl)quinolin-7-ol (HQBT) as a Structural Model. [PDF]

Micromachines (Basel)
Nedeltcheva-Antonova D, Kircheva N, Angelova S, Antonov L.   +3 more
europepmc   +1 more source

“Smelltronics”—From Gas to Smell Sensing

Advanced Materials, EarlyView.
The emerging field of smelltronics, encompassing sensing technologies for complex volatile organic compounds, holds significant potential for extracting valuable chemical information. It facilitates the noninvasive, real‐time monitoring of humans, food, and the environment.
Takeshi Ono, Tsunaki Takahashi, Jiangyang Liu, Haruka Honda, Zeng Jing, Wataru Tanaka, Takuro Hosomi, Takeshi Yanagida   +7 more
wiley   +1 more source

Laser‐Assisted Phase Engineering of 2D MoS2 for Efficient Solution‐Processed Electronics

Advanced Materials, EarlyView.
Here, local laser‐assisted phase transition from solution‐processed phase‐pure 1T′ to 2H MoS2 is shown to critically depend on the irradiation atmosphere. While processing in air leads to damaged insulating regions, inert conditions yield semiconducting 2H domains, enabling direct field‐effect transistor patterning with optimized lateral 1T′‐2H MoS2 ...
Anna Zhuravlova, Minjuan Li, Osamah Alharbi, Yeonsu Jeong, Bin Han, Lei Gao, Mischa Bonn, Mario Lanza, Sheng Yang, Antonio Gaetano Ricciardulli, Paolo Samorì   +10 more
wiley   +1 more source

A Wave-Particle Model of Energy Transfer Between Two Atoms in a Transactional Interpretation of Quantum Mechanics. [PDF]

Entropy (Basel)
Watts L, Mead C.
europepmc   +1 more source

Pulsed Laser‐Assisted Phase Engineering of Multimetallic Colloidal Nanocrystals With Complex Compositions

Advanced Materials, EarlyView.
The engineering of colloidal nanocrystals with complex compositions has emerged as a highly active area of research within nanomaterials science. This review covers key aspects of colloidal solid‐solution nanocrystal formation using pulsed laser irradiation.
Marina T. Candela, Sergio Triviño‐Sánchez, Andrés Guerrero‐Martínez, Luis M. Liz‐Marzán, Guillermo González‐Rubio   +4 more
wiley   +1 more source