Results 191 to 200 of about 2,867,791 (321)

Heteroatom‐Engineering Promoted Co9S8 Bi‐functional Electrocatalyst for Hydrazine‐Assisted Hydrogen Production at Industrial Current Density

Advanced Functional Materials, EarlyView.
Fe and P co‐doped Co9S8 nanocorals (Fe, P‐Co9S8) are successfully synthesized by a heteroatom engineering strategy, which exhibit outstanding bifunctional electrocatalytic performance for both the hydrogen evolution reaction (HER) and hydrazine oxidation reaction (HzOR).
Yuying Meng, Chunyan Xiang, Wenbiao Zhang, Dahai Zeng, Bing Du, Bao Zhong, Yue Jiang, Damien Voiry, Qingsheng Gao   +8 more
wiley   +1 more source

Quantum Chemistry Based Simulation of Enantioseparation on Cyclodextrin- and Polysaccharide-Based Chiral Stationary Phases. [PDF]

Chemistry
Nelles-Ziegler L, Plett C, Grimme S.
europepmc   +1 more source

Multiscale quantum algorithms for quantum chemistry. [PDF]

Chem Sci, 2023
Ma H, Liu J, Shang H, Fan Y, Li Z, Yang J.   +5 more
europepmc   +1 more source

Scalable Thermal Engineering via Femtosecond Laser‐Direct‐Written Phononic Nanostructures

Advanced Functional Materials, EarlyView.
This study demonstrates that femtosecond laser‐induced periodic surface structures (fs‐LIPSS) can function as phononic metasurfaces, reducing thermal conductivity below the plain thin‐film limit. Phonon Monte Carlo analysis reveals that the periodic structures restrict phonon mean free paths.
Hiroki Hamma, Roman Anufriev, Kazuyoshi Fushinobu, Masahiro Nomura, Byunggi Kim   +4 more
wiley   +1 more source

Advantages of two quantum programming platforms in quantum computing and quantum chemistry. [PDF]

J Cheminform
Wang PH, Wu WY, Lee CY, Hong JC, Tseng YJ.   +4 more
europepmc   +1 more source

Tin‐Oxo Nanocluster Extreme UV Photoresists Equipped with Chemical Features for Atmospheric Stability and High EUV Sensitivity

Advanced Functional Materials, EarlyView.
Fluoroalkyl‐functionalized tin–oxo nanoclusters (N‐TOC6) enable robust pattern formation through ligand crosslinking under EUV exposure without thermal processing. Sn–F coordination mitigates the Lewis acidity of Sn centers, suppressing reactions with airborne molecules and improving post‐exposure pattern stability.
Yejin Ku, Gayoung Kim, Minseung Kim, Hyungju Ahn, Jin‐Kyun Lee, Jiho Kim, Byeong‐Gyu Park, Dohyun Moon, Sangsul Lee, Seohyeon Lee, Yu Ha Jang, Byung Jun Jung, Hyunseok Kim, Changhyeon Lee, Su‐Mi Hur, Ji Young Park, Chawon Koh, Tsunehiro Nishi, Hyun‐Woo Kim   +18 more
wiley   +1 more source

Transfer-Learning Deep Raman Models Using Semiempirical Quantum Chemistry. [PDF]

J Chem Inf Model
Kamran J, Hniopek J, Bocklitz T.
europepmc   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

Advanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Q-GEM: Quantum Chemistry Knowledge Fusion Geometry-Enhanced Molecular Representation for Property Prediction. [PDF]

Adv Sci (Weinh)
Yang Z, Wang L, Huang T, Wang Y, Gao M, Hou T, Ding J, Xiao J.   +7 more
europepmc   +1 more source

Magnetic Force Microscopy Signatures of Higher‐Order Skyrmions and Antiskyrmions

Advanced Functional Materials, EarlyView.
Magnetic force microscopy operated under vacuum conditions enables the qualitative identification of higher‐order skyrmions and antiskyrmions in Co/Ni multilayers at room temperature. Distinct stray‐field contrast signatures arise from vertical Bloch lines and complex domain‐wall configurations.
Sabri Koraltan, Joe Sunny, Tamer Karaman, Reshma Peremadathil‐Pradeep, Emily Darwin, Felix Büttner, Dieter Suess, Hans Josef Hug, Manfred Albrecht   +8 more
wiley   +1 more source