Results 251 to 260 of about 548,688 (336)

PFAS Biodegradation and the Constraints of Thermodynamics. [PDF]

Microb Biotechnol
Wackett LP.
europepmc   +1 more source

Bridging Theory and Experiment: Machine Learning Potential‐Driven Insights into pH‐Dependent CO₂ Reduction on Sn‐Based Catalysts

Advanced Functional Materials, EarlyView.
Machine learning potential (MLP) enables large‐scale molecular dynamics (MD) simulations, uncovering dynamic surface reconstruction of SnO₂ and SnS₂ under CO₂ reduction reaction condition. The negative dipole moments upon *OCHO adsorption are the primary factors driving the leftward shift of the volcano plot.
Yuhang Wang, Zelin Wu, Yingfang Jiang, Di Zhang, Qiang Wang, Congwei Wang, Huihui Li, Xue Jia, Jun Fan, Hao Li   +9 more
wiley   +1 more source

Empirical Study on Fluctuation Theorem for Volatility Cascade Processes in Stock Markets. [PDF]

Entropy (Basel)
Maskawa JI.
europepmc   +1 more source

The Influence of Annealing on the Sb Layer in the Synthesis of [001]‐Oriented Sb2Se3 Film for Photoelectrochemical Hydrogen Gas Generation

Advanced Functional Materials, EarlyView.
[001]‐oriented Sb2Se3 film with improved crystallinity and adjusted composition is achieved via a new thermal treatment approach consisting of preliminary annealing of the Sb layer before its selenization. The findings of this work demonstrate enhanced charge carriers' transportation, a stable performance, and an improvement of H2 generation from ...
Magno B. Costa, Moisés A. de Araújo, Joaquim Puigdollers, Pablo Ortega, Teresa Andreu, Cristobal Voz, Edgardo Saucedo, Lucia H. Mascaro   +7 more
wiley   +1 more source

Thermodynamics of harmony: Extending the analogy across musical systems. [PDF]

PLoS One
Nasser L, Tillotson A, Hernandez X.
europepmc   +1 more source

Accelerated Discovery of High‐Performance PCFC Cathodes: Computational‐Experimental Optimization of Cobalt‐Substituted Ba0.95La0.05FeO3‐δ

Advanced Functional Materials, EarlyView.
An integrated computational–experimental strategy accelerates the discovery of high‐performance PCFC cathodes. Computational screening using machine learning interatomic potentials and targeted experiments identifies optimal cobalt substitution in Ba0.95La0.05FeO3‐δ, reducing area‐specific resistance by 58% at 500 °C.
Abdullah Tahir, Yuhao Wang, Jingwei Li, Yunfeng Tian, Francesco Ciucci   +4 more
wiley   +1 more source

Thiol‐Modulation‐Induced Mesoporous Nanosheets with an Alloy/Intermetallic Heterophase for Efficient Electrochemical Ethylene Glycol‐Assisted Water Splitting

Advanced Functional Materials, EarlyView.
Sulfur‐capped mesoporous PtPbBi nanosheets (S‐PtPbBi MNSs) with an alloy/intermetallic compound heterophase and inhomogeneous tensile strain (≈3%) were synthesized by a thiol modification strategy, which exhibited excellent electrocatalytic performance for ethylene glycol oxidation reaction (EGOR).
Fukai Feng, Sumei Han, Chaoqun Ma, Xiao Ma, Gang Lin, Huaifang Zhang, Caihong He, Xinran Jiao, Xiangmin Meng, Wenbin Cao, Chongyi Ling, Lijie Zhu, Jing Xia, Qinbai Yun, Qipeng Lu   +14 more
wiley   +1 more source

The Sabatier principle governs the performance of self-sufficient heterogeneous biocatalysts for redox biotransformations.

Cell Rep Phys Sci
Diamanti E, Oliden-Sánchez A, Grajales-Hernández D, Andrés-Sanz D, Fernández-Marín R, Padro D, Ruíz-Cabello J, Zangi R, López-Gallego F.   +8 more
europepmc   +1 more source

On the Resistance Coefficients for Heat Conduction in Anisotropic Bodies at the Limit of Linear Extended Thermodynamics. [PDF]

Entropy (Basel)
Thapliyal D, Arya RK, Achilias DS, Verros GD.   +3 more
europepmc   +1 more source

Enhancing Metal‐Support Interactions of Ru Catalysts via Relaxation of Oxygen Vacancies for Hydrogen Production

Advanced Functional Materials, EarlyView.
Designing stable Ru nanoparticle catalyst remains a critical challenge in electrochemical applications. Here, a strategy is presented to stabilize Ru catalysts by leveraging Ce‐doped ZrO2 supports (ZrCeO2‐x), which enhance catalyst durability and activity through electronic metal‐support interactions and stabilized oxygen vacancies.
Mansu Kim, Jonghwan Park, Hyuk Choi, Sohui Kim, Injoon Jang, Hyun You Kim, Namgee Jung, Sung Jong Yoo, Joseph T. Hupp, Dongmok Whang   +9 more
wiley   +1 more source