Results 171 to 180 of about 849,980 (294)

Unraveling the Origin of Exceptional Activity in NiMo Alloys for Alkaline Hydrogen Evolution

open access: yesAdvanced Science, EarlyView.
This study resolves the controversy regarding the active origin of Nickel‐molybdenum (NiMo) alloys for alkaline hydrogen evolution. By combining surface Pourbaix diagrams with microkinetic modeling, we demonstrate that the O‐covered Ni3Mo surface drives activity through a synergistic mechanism: Mo sites facilitate water dissociation while adjacent Ni ...
Yuefeng Zhang   +4 more
wiley   +1 more source

Ligand‐Induced Electronic Response Enables Predictive QM/MM Simulations

open access: yesAdvanced Science, EarlyView.
Quantum mechanics/molecular mechanics (QM/MM) simulations are powerful tools for modeling complex molecular systems; however, their predictability has been constrained by the ambiguous definition of the QM region. An electronically informed protocol is introduced that defines QM regions by quantifying guest‐induced orbital shifts and charge ...
Nichika Ozawa   +2 more
wiley   +1 more source

Consequences of Team Job Demands: Role Ambiguity Climate, Affective Engagement, and Extra-Role Performance. [PDF]

open access: yesFront Psychol, 2017
Mañas MA   +5 more
europepmc   +1 more source

cuteHap: Haplotype‐Aware Structural Variant Detection in Phased Long‐Read Sequencing Data

open access: yesAdvanced Science, EarlyView.
cuteHap is a haplotype‐aware structural variant detection method designed for phased long‐read sequencing. By employing self‐adaptive clustering and credibility‐prioritized beam search algorithms, cuteHap generates accurate haplotype‐resolved calls and outperforms state‐of‐the‐art tools.
Shuqi Cao   +7 more
wiley   +1 more source

Noise Fingerprints as a Quantitative Order Parameter for Polarization‐ and Defect‐Mediated Switching in Hafnia Ferroelectrics

open access: yesAdvanced Science, EarlyView.
Low‐frequency noise fingerprints in hafnia ferroelectrics provide a quantitative handle to resolve the long‐standing debate between polarization‐mediated and defect‐mediated switching. By tuning oxygen vacancy density via ALD O3 dose time and applying a physically constrained deconvolution, we extract bias‐resolved current fractions for both mechanisms
Ryun‐Han Koo   +8 more
wiley   +1 more source

Nanozymes for Energy and Environmental Sustainability

open access: yesAdvanced Science, EarlyView.
At present, the widely used nanozymes are oxidoreductase and hydrolase, which have proved to have great application prospects in energy and environment. ABSTRACT Nanozymes have shown remarkable promise in addressing pressing challenges in energy and environmental sustainability.
Xiaoqi Li, Jinxing Chen, Shaojun Dong
wiley   +1 more source

Home - About - Disclaimer - Privacy