Results 211 to 220 of about 1,610,034 (354)

High‐Entropy Engineering and External Magnetic Field Modulation Synergistically Enhance the H2S Sensing Performance of Rare‐Earth Perovskite Ferrites

Advanced Science, EarlyView.
A novel high‐entropy perovskite oxide, (Gd0.2Tb0.2Dy0.2Ho0.2Er0.2)FeO3, was successfully synthesized for advanced hydrogen sulfide gas detection. By synergistically coupling high‐entropy‐induced local lattice distortion with weak magnetic field modulation, the tailored material generates abundant active sites. This innovative dual strategy dramatically
Yunfei Wang, Min Zhang, Rui Li, Xiaolong Yao, Zhaofeng Wu, Fengdong Qu, Shan Qiu, Zhenjiang Li   +7 more
wiley   +1 more source

Production of Ultracold XOH (X = Ca, Sr, Ba) Molecules by Direct Laser Cooling: A Theoretical Study Based on Accurate Ab Initio Calculations. [PDF]

Molecules
Wei J, Li P, Wu J, Li Y, Liu W, Fu Y, Ma J.   +6 more
europepmc   +1 more source

Inhibiting the Laydown of Polymeric Carbon and Simultaneously Promoting Its Facile Burn-Off during the Industrial-Scale Production of Hydrogen with Nickel-Based Catalysts: Insights from Ab Initio Calculations. [PDF]

Nanomaterials (Basel), 2022
Ukpong AM.
europepmc   +1 more source

Electronic energy structure and optical properties of In4CdI6 from ab initio calculations

I. V. Semkiv, Н. Т. Покладок, F. O. Ivashchyshyn, Andrii I. Kashuba   +3 more
openalex   +2 more sources

Nanoscale Confinement Enhances Ultrafast Demagnetization

Advanced Science, EarlyView.
Next generation spintronics may depend on successfully combining femtosecond spin dynamics with nanoscale device miniaturization. We address this by systematically studying the effect of nanoscale confinement on the femtosecond demagnetization of Iron. By combining ultrafast experiments sensitive to spins, charge carriers, and phonons, we uncover a nm ...
Yoav William Windsor, Tobias Lojewski, Moumita Kundu, Klaus Sokolowski‐Tinten, Nico Rothenbach, Andrea Eschenlohr, Markus Ernst Gruner, Katharina Ollefs, Carolin Schmitz‐Antoniak, Soma Salamon, Daniela Zahn, Laurenz Rettig, Christian Schüßler‐Langeheine, Niko Pontius, Renkai Li, Mianzhen Mo, Suji Park, Xiaoshe Shen, Stephen Weathersby, Xijie Wang, Rossitza Pentcheva, Heiko Wende, Ulrich Nowak, Uwe Bovensiepen   +23 more
wiley   +1 more source

Synergy of Experiment and Broadened Exploration of Ab Initio Calculations for Understanding of Lanthanide-Pentacyanidocobaltate Molecular Nanomagnets and Their Optical Properties. [PDF]

Inorg Chem
Zychowicz M, Dzielak H, Rzepiela J, Chorazy S.   +3 more
europepmc   +1 more source

From Bonding to Strength: Charge Density and the Mechanical Properties of Materials — Elastic Constants, Compressibility, Hardness, Ductility and Toughness, from Ab Initio Calculations to Data Mining

hafid aourag
openalex   +1 more source

High-Field Electron Transport in AlGaN alloys: A Full-Band Monte Carlo Study Based on Ab Initio Supercell Calculations [PDF]

Animesh Datta, Matinehsadat Hosseinigheidari, Uttam Singisetti   +2 more
openalex   +1 more source

F‐Type Pyocin Versus Phage λ Tail: Conserved Hub, Divergent Fibers

Advanced Science, EarlyView.
Near‐atomic cryo‐EM structures of a Gram‐negative F‐type pyocin reveal a conserved tail tip architecture shared with bacteriophage λ together with a previously unrecognized side‐fiber attachment mode. These findings provide new insight into tailocin assembly and host recognition and establish a structural framework for engineering precision ...
Zhiwei Gu, Yufan Xie, Lanxin Wang, Luyan Ma, Xiaofei Ge, Jiawei Wang   +5 more
wiley   +1 more source

Combining Anisotropic ¹¹⁹Sn NMR and <i>Ab Initio</i> Calculations to Probe the Stereoactive Lone Pair in Sn(II) Metal-Organic Frameworks. [PDF]

Chem Mater
Loan HR, Bragg RJ, Walton CF, Walton RI, Hope MA.   +4 more
europepmc   +1 more source