Piotr Zarzycki

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Electron-transporting multi-heme cytochromes are essential to the metabolism of microbes that inhabit soils and carry out important biogeochemical processes. Recently the first crystal structure of a prototype bacterial deca-heme cytochrome (MtrF) has been resolved and its electrochemistry characterized. However, the molecular details of electron transport(More)
The free energy profile for electron flow through the bacterial decahaem cytochrome MtrF has been computed using thermodynamic integration and classical molecular dynamics. The extensive calculations on two versions of the structure help to validate the method and results, because differences in the profiles can be related to differences in the charged(More)
Electron mobility within iron (oxyhydr)oxides enables charge transfer between widely separated surface sites. There is increasing evidence that this internal conduction influences the rates of interfacial reactions and the outcomes of redox-driven phase transformations of environmental interest. To determine the links between crystal structure and(More)
Ab initio molecular dynamics and quantum chemistry techniques are used to calculate the structure, vibrational frequencies, and carbon-isotope fractionation factors of the carbon dioxide component [CO(2)(m)] of soil (oxy)hydroxide minerals goethite, diaspore, and gibbsite. We have identified two possible pathways of incorporation of CO(2)(m) into(More)
Hematite (α-Fe2O3) is an important candidate electrode for energy system technologies such as photoelectrochemical water splitting. Conversion efficiency issues with this material are presently being addressed through nanostructuring, doping, and surface modification. However, key electrochemical properties of hematite/electrolyte interfaces remain poorly(More)
The concept of divisibility sequence is quite popular in the mathematical literature. Starting from [1], where Marshall Hall called a sequence g of rational integers a divisibility sequence iff Vm,neN m\n => g(m)\g(n\ (DS) numerous papers appeared (see, e.g., [6], [7]). Another study of such sequences was initiated by Kimberling who in [2] called g a strong(More)
Time dependent potentiometric pH titrations were used to study the effect of atomic scale surface structure on the protonation behavior of the structurally well-defined hematite/electrolyte interfaces. Our recently proposed thermodynamic model [1,25] was applied to measured acidimetric and alkalimetric titration hysteresis loops, collected from highly(More)
Reaction rates of environmental processes occurring at hydrated mineral surfaces are in part controlled by the electrostatic potential that develops at the interface. This potential depends on the structure of exposed crystal faces as well as the pH and the type of ions and their interactions with these faces. Despite its importance, experimental methods(More)