相关论文: Transition state redox during dynamical processes …
The quantum phase transition in iron-based superconductors with 'half-Dirac' node at the electron Fermi surface as a $T=0$ structural phase transition described in terms of nematic order is discussed. An effective low energy theory that…
Recent debates on the oxygen redox behaviors in battery electrodes have triggered a pressing demand for the reliable detection and understanding of non-divalent oxygen states beyond conventional absorption spectroscopy. Here, enabled by…
Heterogenous reactions typically consist of multiple elementary steps and their rate coefficients are of fundamental importance in elucidating the mechanisms and micro-kinetics of these processes. Transition-state theory (TST) for…
We investigate the charge density distribution in titanium dioxide, molecular titanium complexes and a variety of periodic titanium compounds using delocalization indices and Bader charge analysis. Our results are in agreement with previous…
Many cellular and subcellular biological processes can be described in terms of diffusing and chemically reacting species (e.g. enzymes). Such reaction-diffusion processes can be mathematically modelled using either deterministic…
We study abrupt changes in the dynamics and/or steady state of fermionic dissipative systems produced by small changes of the system parameters. Specifically, we consider open fermionic systems whose dynamics is described by master…
Many reactions in chemistry and biology involve multiple electronic states, rendering them nonadiabatic in nature. These reactions can be formally described using Fermi's golden rule (FGR) in the weak-coupling limit. Nonadiabatic instanton…
Standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separating them from the products. While energy dissipation and…
Spontaneous persistent motions driven by active processes play a central role to maintain the living cells far from equilibrium. In the majority of the research works, the steady state dynamics of an active system has been described in…
Magnetization switching in ferromagnetic structures is an important process for technical applications such as data storage in spintronics, and therefore the determination of the corresponding switching rates becomes essential. We…
For the successful implementation of organic electrochemical transistors in neuromorphic computing, bioelectronics, and real-time sensing applications it is essential to understand the factors that influence device switching times. Here we…
In this paper, we study the phase transition behavior emerging from the interactions among multiple agents in the presence of noise. We propose a simple discrete-time model in which a group of non-mobile agents form either a fixed connected…
Numerical modeling of the edge and scrape-off layer (SOL) must account for atomic processes such as hydrogenic ionization and recombination, charge-exchange, and line radiation. Their reaction rates depend non-linearly on density and…
The existence and search for thermodynamic phase transitions is of unfading interest. In this paper, we present numerical evidence of dynamical phase transitions occurring in boundary driven systems with a constrained integrated current. It…
We investigate non-equilibrium two-electron transfer in a model redox system represented by a two-site extended Hubbard model and embedded in a dissipative environment. The influence of the electron-electron interactions and the coupling to…
The light-driven reactions of photosynthesis, as well as the mitochondrial power supply, are hosted within specialized membranes containing a high fraction of redoxactive lipids. Protein mobility and diffusion of redox lipids is believed to…
Enhanced EV market penetration requires durability of the battery with high energy throughput. For long-term cycle stability of silicon-graphite anode capable of high energy density, the reversible redox reactions are crucial. Here, we…
Stochastic reaction networks are mathematical models frequently used in, but not limited to, biochemistry. These models are continuous-time Markov chains whose transition rates depend on certain parameters called rate constants, which…
Understanding and probing phase transitions in non-equilibrium systems is an ongoing challenge in physics. A particular instance are phase transitions that occur between a non-fluctuating absorbing phase, e.g., an extinct population, and…
Nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but much less investigated under non-isothermal conditions. However, once the heat exchange between subsystems is rather slow, the isothermal…