Results 191 to 200 of about 743,578 (322)

Synergistic Fe–Si Dual‐Site Pathway Engineering in Biomass‐Derived Carbon Matrix for High‐Performance Oxygen Reduction Reaction

Carbon Energy, EarlyView.
We report a dual‐atomic Si–Fe–N–C catalyst synthesized from nitrogen‐rich pinecones and an Fe porphyrin precursor. The inherent Si and N in pinecones form a porous Si–N–C framework that stabilizes Fe atoms during pyrolysis, yielding robust Si–Fe dual sites.
Min Su Cho, Yanmei Zang, Sung Joon Park, Byeong‐Seon An, Ho Jin Lee, Ashishi Gaur, Ghulam Ali, Mingony Kim, Kyung Yoon Chung, Sungbin Park, Yung‐Eun Sung, Daehae Kim, Ki Jae Kim, Chang Woo Myung, HyukSu Han   +14 more
wiley   +1 more source

Surprisal Analysis-Based Compaction of Entangled Molecular States of Maximal Entropy. [PDF]

Entropy (Basel)
Hamilton JR, Remacle F, Levine RD.
europepmc   +1 more source

Interfacial Ru–O–W Orbital Coupling Enables Lattice Oxygen Stabilization for Enhanced Acidic OER

Carbon Energy, EarlyView.
A RuO2/WO3 electrocatalyst with strong interfacial Ru–O–W bonds exhibits optimized Ru–O interactions, enhancing intrinsic activity and stability for acidic OER. The WO3 support modulates the electronic structure of RuO2 and promotes oxo‐intermediate deprotonation, delivering a low overpotential of 203 mV at 10 mA cm−2 and sustained operation beyond 200 
Tongzhou Wang, Shoujian Duan, Junyu Pan, Jihong Li, Li Shao, Lei Shi, Yuhan Sun, Jingming Ran, Huaiyu Shao, Yida Deng   +9 more
wiley   +1 more source

Diabatization with Electrostatic Embedding for Studying Photophysics in Organic Molecular Crystals. [PDF]

J Chem Theory Comput
Ingham M, Aarabi M, Giannini S, Garavelli M, Santoro F, Improta R, Crespo-Otero R.   +6 more
europepmc   +1 more source

A [3]Rotaxane Containing {Ti7Ga} Rings Linking CuII: Synthesis, Structure, and Spectroscopic Studies

Chemistry – A European Journal, EarlyView.
Extended hybrid inorganic‐organic [2]‐ and [3]‐rotaxanes are reported based on heterometallic rings with threads that link CuII complexes; the crystal structures are reported, and the solution behavior is investigated by double electron electron resonance spectroscopy methods.
Selena J. Lockyer, Lubomir Loci, George F. S. Whitehead, Inigo J. Vitorica‐Yrezabal, Grigore A. Timco, Alice M. Bowen, Eric J. L. McInnes, Richard E. P. Winpenny   +7 more
wiley   +1 more source

Unraveling Charge and Energy Transfer in a Singlet Fission Donor-Acceptor Complex: An <i>Ab Initio</i> Quantum Dynamical Study. [PDF]

J Chem Theory Comput
Thalmann KS, Coto PB, Thoss M.
europepmc   +1 more source

Advanced control of non‐isothermal axial dispersion tubular reactors with recycle‐induced state delay

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract We develop a delay‐aware estimation and control framework for a non‐isothermal axial dispersion tubular reactor modelled as a coupled parabolic‐hyperbolic PDE system with recycle‐induced state delay. The infinite‐dimensional dynamics are preserved without spatial discretization by representing the delay as a transport PDE and adopting a late ...
Behrad Moadeli, Stevan Dubljevic
wiley   +1 more source

Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules in Optical Cavities. [PDF]

J Chem Theory Comput
Aklilu Y, Shepherd M, Covington CL, Varga K.   +3 more
europepmc   +1 more source

Playing with fire? A mean‐field game analysis of fire sales and systemic risk under regulatory capital constraints

Canadian Journal of Statistics, EarlyView.
Abstract We analyze the effect of regulatory capital constraints on financial stability in a large homogeneous banking system using a mean‐field game (MFG) model. Each bank holds cash and a tradable risky asset. Banks choose absolutely continuous trading rates in order to maximize expected terminal equity, with trades subject to transaction costs ...
Rüdiger Frey, Theresa Traxler
wiley   +1 more source

A low-circuit-depth quantum computing approach to the nuclear shell model. [PDF]

Discov Quantum Sci
Sarma C, Stevenson PD.
europepmc   +1 more source