Results 191 to 200 of about 104,018 (309)

NMR and MD Simulations of Non-Ionic Surfactants. [PDF]

Molecules
Buntkowsky G, Hoffmann M.
europepmc   +1 more source

Organic Photo‐Responsive Piezoelectric Materials Based on Pyrene Molecules for Flexible Sensors

Advanced Electronic Materials, EarlyView.
An organic, pyrene‐based non‐centrosymmetric crystal, PyPT, is introduced, showcasing excellent piezoelectric behavior with a high‐output electrical signal, rapid response time, and a substantial piezoelectric coefficient. The piezoelectric sensors demonstrate the ability to recognize physical sound characteristics ‐ such as amplitude, frequency, and ...
Xinyi Song, Xiaohui Wang, Wei Liu, Xiaoxue Chen, Shaoling Li, Md Shariful Islam, Ling Li, Xiaobo Zhao, Carl Redshaw, Yu Zhao, Changyong (Chase) Cao, Xing Feng   +11 more
wiley   +1 more source

The Influence of pH on Long-Range Electron Transfer and Proton-Coupled Electron Transfer in Ruthenium-Modified Azurin. [PDF]

Molecules
Ghazi N, Warren JJ.
europepmc   +1 more source

Using Dopants as Agents to Probe Key Electronic Properties of Organic Semiconductors

Advanced Electronic Materials, EarlyView.
Dopants are typically used in organic electronics to enhance conductivity, but here their potential is demonstrated as probes for fundamental material properties. By integrating experimental data and multiscale simulations, it is shown how dopant ionization and conductivity measurements enable accurate extraction of ionization potential and Coulomb ...
Artem Fediai, Franz Symalla, Tobias Neumann, Wolfgang Wenzel   +3 more
wiley   +1 more source

Polarizable Water Model with Ab Initio Neural Network Dynamic Charges and Spontaneous Charge Transfer. [PDF]

J Chem Theory Comput
Liang Q, Yang J.
europepmc   +1 more source

Photocatalytic and Electrochemical Synthesis of Biofuel via Efficient Valorization of Biomass

Advanced Energy Materials, EarlyView.
This review highlights biomass and biofuel traits, exploring photocatalysis and electrocatalysis mechanisms and their synergistic technologies in biofuel production. It analyzes environmental and economic impacts of green catalytic processes, assesses current challenges, and outlines future research directions, condensing complex topics into a focused ...
Dalin Sun, Yan Zhang, Yuyue Zhou, Yingxia Nie, Lin Ban, Deyu Wu, Song Yang, Heng Zhang, Cheng Li, Kai Zhang   +9 more
wiley   +1 more source

Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups. [PDF]

Acta Crystallogr B Struct Sci Cryst Eng Mater
Sugden IJ, Bowskill DH, Tan BI, Zhang Y, Adjiman CS, Pantelides CC.   +5 more
europepmc   +1 more source

How Do Organic Batteries Work? Theoretical and Design Principles of Electrode Materials for All‐Organic Batteries

Advanced Energy Materials, EarlyView.
This concept article provides a comprehensive introduction and overview of how (fully) organic batteries and the respective redox‐active organic electrode materials work. Options for cell setups are discussed, as well as the difference between half‐ and full‐cells and the relevance of the two types. At the material level, the difference between organic
Robin Wessling, Philipp Penert, Birgit Esser   +2 more
wiley   +1 more source

Single-molecule techniques in studying the molecular mechanisms of DNA synapsis in non-homologous end-joining repair. [PDF]

Biophys Rep
Jiang Y, Zhao C, Zhang C, Li W, Liu D, Zhao B.   +5 more
europepmc   +1 more source

Thiophene Sulfone Single Crystal as a Reversible Thermoelastic Linear Actuator with an Extended Stroke and Second-Harmonic Generation Switching. [PDF]

J Am Chem Soc
Wang Z, Shi R, Tahir I, Karothu DP, Cheng P, Han W, Li L, Zheng Y, Naumov P, Xu J, Bu XH.   +10 more
europepmc   +1 more source