Results 41 to 50 of about 68,378 (315)

Ultrahigh Piezoelectricity in Truss‐Based Ferroelectric Ceramics Metamaterials

Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.
By leveraging the unique combination of polarization direction and loading state, ultrahigh piezoelectricity is achieved through careful tuning of the relative density and scaling ratio in truss‐based ferroelectric metamaterials. This approach enables the simultaneous realization of extremely high piezoelectric constants and ultralow dielectric ...
Jiahao Shi, Kang Ju, Haoyu Chen, Valérie Orsat, Agus P. Sasmito, Ali Ahmadi, Abdolhamid Akbarzadeh   +6 more
wiley   +1 more source

Molecular Structure and Electronic Properties of Triolein Molecule under an External Electric Field Related to Streamer Initiation and Propagation

Energies, 2017
Natural ester has been widely studied as an alternative dielectric liquid to mineral oil in recent years. Unsaturated triacylglycerol molecules are the main components of natural ester; therefore, in this paper, we investigate the molecular structure and
Yachao Wang, Feipeng Wang, Jian Li, Zhengyong Huang, Suning Liang, Jinghan Zhou   +5 more
doaj   +1 more source

Theoretical investigation, solvation effect, topology, NCI and molecular docking studies on potential Pemigatinib

Chemical Physics Impact, 2023
The titled compound TA structure was optimized in B3LYP/cc-pVDZ basis set using Gaussian software. In natural bond orbital analysis the highest stabilization energy is 82.3 kcal/mol, which is confirmed by LP(1)-C19 to antibonding π*(C13-C14).
T. Kaviya, P. Rajkumar, N. Elangovan, T. Arulmozhi, S. Sowrirajan, Natarajan Arumugam, Abdulrahman I. Almansour, Sakkarapalayam M. Mahalingam   +7 more
doaj   +1 more source

Interfacial Contact Engineering Enables Giant‐Performance Semiconductor Nanomembrane Optoelectronic Devices

Advanced Functional Materials, EarlyView.
This work investigates modifying interfacial contacts in realizing giant‐performance semiconductor nanomembrane optoelectronics. Strategies, including surface reaction and buffer layer work‐function modulation, are explored to boost the Schottky barrier. An emerging material of YbOx is utilized for near‐ideal Ohmic contact.
Yibo Zhang, Gloria Vytas, Haozhe Wang, Sara Almenabawy, Zheng‐Hong Lu, Nazir P. Kherani   +5 more
wiley   +1 more source

The Quantum Chemical Investigation on the Structure-Activity Relationship of a Schiff Base Corrosion Inhibitor

Medžiagotyra, 2023
This study investigated the relationship between the molecular structure and the corrosion inhibition efficiency of three corrosion inhibitors for steel in acidic media using the DFT method.
Hong JU, Di ZHU, Shufa LIU, Hanzhi LI
doaj   +1 more source

Electric Pulse Regulated MXene Based Nanozymes for Integrative Bioelectricity Immuno‐Cancer Therapy

Advanced Functional Materials, EarlyView.
MXenzyme‐mediated bioelectricity cancer therapy (MXenzyme‐BECT) enhances cancer cell death through irreversible depolarization, ion channel disruption, ROS generation, and immunogenic cell death. Computational simulations reveal the electrical mechanisms by which MXenzyme acts on single cells and support to predict treatment parameters. Next‐generation
Sanghee Lee, Seongchan Kim, Eui‐Sang Yu, Sian Lee, Min Jun Ko, Hyojin Lee, Dong‐Hyun Kim   +6 more
wiley   +1 more source

Dipole Moment of H-Bonded Complexes

, 1979
Department of Physics, Rajah Serfoji Government College, Thanjavur-613 005, India Manuscript received 4 October 1978, accepted 12 March 1979 Dipole Moment of H-Bonded ...
openaire   +2 more sources

Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction

Advanced Functional Materials, EarlyView.
This study examines the surface characteristics of AlInP (001), crucial for advanced solar cells and photoelectrochemical devices. Using theoretical modeling and experiments, it identifies how phosphorus‐rich and indium‐rich surfaces create mid‐gap states that pin the Fermi level and influence ultrafast electron dynamics.
Mohammad Amin Zare Pour, Sahar Shekarabi, Isaac Azahel Ruiz Alvarado, Jonathan Diederich, Yuyings Gao, Agnieszka Paszuk, Dominik C. Moritz, Wolfram Jaegermann, Dennis Friedrich, Roel van de Krol, Wolf Gero Schmidt, Thomas Hannappel   +11 more
wiley   +1 more source

Multi‐Pathway Upconversion Emission in Symmetry‐Broken Nanocavities: Broadband Multiresonant Enhancement and Anti‐Correlated Interfacial Sensitivity

Advanced Functional Materials, EarlyView.
Symmetry‐broken plasmonic nanoantenna arrays achieve broadband multiresonant enhancement of second harmonic generation (SHG), third harmonic generation (THG), and upconversion photoluminescence (UCPL), under femtosecond laser excitation across the near‐infrared range (1000–1600 nm).
Elieser Mejia, Yuming Zhao, Meitong Nie, Benjamin Pittelkau, Aditya Garg, Junyeob Song, Wenqi Zhu, Henri Lezec, Amit Agrawal, Wei Zhou   +9 more
wiley   +1 more source

Physicochemical Properties of Water in Contact with Nanobubbles Generated by CO2‐Hydrate Dissociation: An Investigation from Experiment and Molecular‐Dynamics Simulation

Advanced Materials Interfaces
The study investigates CO2‐nanobubbles (NBs) generated from gas‐hydrate dissociation, exploring their impact on the physicochemical properties of liquid water.
Parisa Naeiji, Mengdi Pan, Niall J. English   +2 more
doaj   +1 more source