Results 81 to 90 of about 27,988 (262)

The Preparatory (Anti)Bonding Character of Molecular Orbitals

Advanced Science, EarlyView.
Herein, a concept to qualitatively predict changes in bond dissociation energies upon reduction or oxidation of molecular compounds is introduced. Changing the population of so‐called preparatory molecular orbitals influences how molecular fragments are relaxing after bond cleavage, which is shown for isolated organometallic aluminum compounds as well ...
Jonas O. Wenzel, Johannes Werner, Pascal Weisenburger, Joachim Podlech, Ralf Köppe, Ingo Krossing, Dieter Fenske, Andreas Reiß, Claus Feldmann, Israel Fernández, Frank Breher   +10 more
wiley   +1 more source

Newtonian adiabatics unified [PDF]

Physical Review A, 2005
6 pages. New footnote on essential fourth-order term in velocity for Darwin Lagrangian, plus cleanup of unclear points, plus added references. To appear in Phys.
openaire   +2 more sources

Intrinsic Phonons as a Dynamic Control Knob for Catalytic Reactivity in 2D Materials

Advanced Science, EarlyView.
Intrinsic phonon excitations are demonstrated to serve as a dynamic control knob for catalytic reactivity in 2D materials. Mode‐selective lattice vibrations reconstruct the electronic structure, lower oxygen evolution reaction barriers, establishing a phonon‐engineering paradigm for dynamically regulating electrocatalysis beyond conventional static ...
Kai Ren, Feifan Wang, Yong‐Wei Zhang, Tianyang Liu, Liangzhi Kou, Yu Jing   +5 more
wiley   +1 more source

Hierarchical theory of quantum adiabatic evolution

New Journal of Physics, 2014
Quantum adiabatic evolution is a dynamical evolution of a quantum system under slow external driving. According to the quantum adiabatic theorem, no transitions occur between nondegenerate instantaneous energy eigenstates in such a dynamical evolution ...
Qi Zhang, Jiangbin Gong, Biao Wu
doaj   +1 more source

Photoelectric Imaging of the Optically Inactive Charge State of Silicon‐Vacancy Defects in Diamond

Advanced Science, EarlyView.
Although the doubly negative charge state of the SiV center in diamond is predicted to ionize only in the ultraviolet and is therefore considered optically inaccessible, we demonstrate visible‐range photoelectric imaging enabled by a previously unrecognized regime of laser‐assisted tunneling. ABSTRACT The investigation of optically active point defects
Ilia Chuprina, Gergő Thiering, Emilie Bourgeois, Anna Ermakova, Dmitry Budker, Adam Gali, Milos Nesladek, Petr Siyushev, Fedor Jelezko   +8 more
wiley   +1 more source

Heat‐to‐Electricity Conversion Using Barium Strontium Titanate Multilayer Capacitors

Advanced Science, EarlyView.
Lead‐free barium strontium titanate multilayer capacitors convert waste heat into electricity via the Olsen electro‐thermodynamic cycle. These capacitors achieve an energy density of 3.7 J cm−3, comparable to the performance of lead‐based ceramics. Their high dielectric strength and broad operating temperature window below 100°C make them practical for
Fan Ni, Junning Li, Uros Prah, Youri Nouchokgwe, Yves Fleming, Ashwath Aravindhan, Moiz Khalil, Torsten Granzow, Sakyo Hirose, Veronika Kovacova, Emmanuel Defay   +10 more
wiley   +1 more source

Lithium‐Ion Battery Safety Evaluation by Quantifying Lithium Plating Degree Based on Pressure Signals

Advanced Science, EarlyView.
Low N/P cells enable controllable lithium plating, allowing the lithium plating degree (DLi) to be quantified and linked to thermal safety. Pressure signals during calibration provide a non‐destructive route to diagnose DLi, while thermal response tests define safety levels and management strategies. The framework remains applicable in commercial 12 Ah
Haonan Liu, Jiangong Zhu, Wenyuan Weng, Bin Shen, Wenjun Fan, Yang Wang, Huapeng Lu, Wuliyasu He, Chunjing Lin, Xuezhe Wei, Haifeng Dai   +10 more
wiley   +1 more source

Flame Suppression in Lithium‐Ion Batteries During Thermal Runaway Through Solvent Design Considering the Volatility–Flammability Relationship

Advanced Science, EarlyView.
An asymmetric sulfonate solvent forms thermally stable interphases and demonstrates non‐flammability, suppressing heat accumulation for safer, high‐performance lithium‐ion batteries. ABSTRACT An asymmetric sulfonate‐based linear solvent, 2,2,2‐trifluoromethyl mesylate (FMS), is designed and used as the primary solvent in liquid electrolytes to enhance ...
Chi‐Yeong Hong, Joon Ha Chang, Ho Yeon Jang, Jooeun Byun, Chae Rim Lee, Jeongmin Kim, Oh B. Chae, Youngjin Kim, Jun Ho Song, Chihyun Hwang, Seoin Back, Ki Jae Kim, Hyun‐seung Kim   +12 more
wiley   +1 more source

Atomically Modulating Competing Exchange Interactions in Centrosymmetric Skyrmion Hosts GdRu2X2 (X = Si and Ge)

Advanced Electronic Materials, EarlyView.
Our work bridges the gap between skyrmion discovery and material design by demonstrating how atomic‐scale control of exchange interactions enables tunable skyrmion phase transitions in centrosymmetric magnetic metals. ABSTRACT Magnetic skyrmions are topologically protected spin states that hold promise for shaping the future of electronics.
Dasuni N. Rathnaweera, Xudong Huai, K. Ramesh Kumar, Michał J. Winiarski, Tomasz Klimczuk, Allana G. Iwanicki, Satya K. Kushwaha, Martin Mourigal, Tyrel M. McQueen, Thao T. Tran   +9 more
wiley   +1 more source

Fundamental Challenges, Physical Implementations, and Integration Strategies for Ising Machines in Large‐Scale Optimization Tasks

Advanced Electronic Materials, EarlyView.
Ising machines are emerging as specialized hardware solvers for computationally hard optimization problems. This review examines five major platforms—digital CMOS, analog CMOS, emerging devices, coherent optics, and quantum systems—highlighting physics‐rooted advantages and shared bottlenecks in scalability and connectivity.
Hyunjun Lee, Joon Pyo Kim, Sanghyeon Kim
wiley   +1 more source