Results 271 to 280 of about 174,741 (346)

Superlubricity of Borophene: Tribological Properties in Comparison to hBN. [PDF]

ACS Nano
Hinaut A, Tömekçe BS, Huang S, Song Y, Meyer E, Cammarata A, Auwärter W, Glatzel T.   +7 more
europepmc   +1 more source

Nanocurvature‐Activated Dipolar Polarization in M–N4 Single‐Atom Sites for High‐Performance Electromagnetic Wave Absorption

Advanced Science, EarlyView.
Increasing nanocurvature effectively enriches the local electron density of the M–N4 motif, which facilitates electron transfer from the metal center to nitrogen atoms. This electronic behavior intensifies the localization and asymmetric distribution of charge, thereby significantly amplifying the dipole moment and polarizability.
Daohu Sheng, Siyao Cheng, Mengmeng Zhang, Jinglei Zhang, Xufei Zhu, Weijin Li, Bo Zhang, Aming Xie   +7 more
wiley   +1 more source

Molecular Design of H₂ Storage/Release Devices: A Direct Ab Initio MD Study. [PDF]

Nanomaterials (Basel)
Tachikawa H.
europepmc   +1 more source

Epitaxial Growth of p‐Type β‐Ga2O3 Thin Films and Demonstration of a p–n Diode

Advanced Electronic Materials, EarlyView.
This study demonstrates p‐type conductivity in β‐Ga2O3 via Te–Mg co‐doping using MOCVD. The films show tunable hole concentrations up to 1.78×1017 cm−3, and a fabricated p–n diode exhibits rectifying behavior. Density functional theory reveals that Te introduces an intermediate band, lowering the Mg acceptor ionization energy and enabling p‐type ...
Chuang Zhang, Hanzhao Song, Chee Keong Tan   +2 more
wiley   +1 more source

<i>Ab initio</i> electronic structure calculations of lanthanide single-molecule magnets; a practical guide.

Chem Soc Rev
Chilton NF.
europepmc   +1 more source

Structural Properties of Hydrogen Fluoride in Aqueous Solution Using Reactive Force Field. [PDF]

J Phys Chem B
Uchida S, Fujiwara K, Shibahara M.
europepmc   +1 more source

Degradation Mechanism of Phosphate‐Based Li‐NASICON Conductors in Alkaline Environment

Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
The presence of water in the cathode of a Li‐air battery shifts reactions to produce LiOH, creating a corrosive, alkaline environment. This study investigates the alkaline stability of the common Li‐NASICON solid‐state conductor chemistries through a systematic experimental study combined with computational modeling to understand the degradation ...
Benjamin X. Lam, Zhuohan Li, Tara P. Mishra, Gerbrand Ceder   +3 more
wiley   +1 more source

Determination of Magnetic Anisotropy Tensors in Actinide Complexes Using Torque Magnetometry: A U(IV) Case Study. [PDF]

J Am Chem Soc
Tacconi L, Adebayo V, Chelazzi L, Berthon C, Bolvin H, Perfetti M.   +5 more
europepmc   +1 more source

Advancing Energy Materials by In Situ Atomic Scale Methods

Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
Progress in in situ atomic scale methods leads to an improved understanding of new and advanced energy materials, where a local understanding of complex, inhomogeneous systems or interfaces down to the atomic scale and quantum level is required. Topics from photovoltaics, dissipation losses, phase transitions, and chemical energy conversion are ...
Christian Jooss, Michael Seibt, Martin Wenderoth, Oliver Bünermann, Ole Bunjes, Till Domröse, Christian Eckel, Francesca Falorsi, Christoph Flathmann, Monica Kolek Martinez de Azagra, Matthias Krüger, Jonas Lindner, Tobias Meyer, Claus Ropers, Ulrich Ross, Kai Rossnagel, Sreeju Sreekantan Nair Lalithambika, Simone Techert, Georg A. Traeger, Cynthia Volkert, R. Thomas Weitz, Alec M. Wodtke   +21 more
wiley   +1 more source

¹⁷O Chemical Shifts in Water. [PDF]

J Phys Chem A
de Dios AC.
europepmc   +1 more source