Related papers: Microbial iron reduction under oxic conditions: im…
A combined experimental and theoretical study of doping individual Fe atoms into Bi2Se3 is presented. It is shown through a scanning tunneling microscopy study that single Fe atoms initially located at hollow sites on top of the surface…
The delivery of an elemental cation flux to the substrate surface in the oxide molecular beam epitaxy (MBE) chamber has been utilized not only for the epitaxial growth of oxide thin films in the presence of oxygen but also in the absence of…
The Bi-Te binary system, characterized by the homologous series of the (Bi2)m(Bi2Te3)n, has always attracted research interest for its layered structures and potential in advanced materials applications. Despite Bi2Te3 has been extensively…
Due the alarming rate of climate change, the implementation of efficient CO$_2$ capture has become crucial. This project aims to create an algorithm that predicts the uptake of CO$_2$ adsorbing Metal-Organic Frameworks (MOFs) by using…
In this work, we demonstrate a remarkable change of chemical trend of Iron under high pressure that is of great importance for understanding the distribution of elements in the Earth's mantle and core. Using first principles crystal…
The ability of Earths mantle to conduct heat by radiation is determined by optical properties of mantle phases. Optical properties of mantle minerals at high pressure are accessible through diamond anvil cell experiments, but because of the…
Ocean acidification, a direct consequence of increased carbon dioxide (CO2) emissions, has emerged as a critical area of concern within the scientific community. The world's oceans absorb approximately one-third of human-caused CO2…
Traces of water can profoundly alter the dielectric response of functional oxides, yet such effects have remained largely unrecognized in systems where colossal dielectric behaviour has been widely reported. Here, we investigate the impact…
According to defect chemistry, the experimental observations of enhanced cation diffusion in a reducing atmosphere in zirconia, ceria and barium titanate are in support of an interstitial mechanism. Yet previous computational studies always…
This study is focused on the mechanism of in vitro biomineralization on the surface of CaO.MgO.2SiO2 (diopside) nanostructured coatings by scanning electron microscopy, energy-dispersive X-ray spectroscopy and inductively coupled plasma…
Recently, spin selection rules have been invoked to explain the discrepancy between measured and calculated adsorption probabilities of molecular oxygen reacting with Al(111). In this work, we inspect the impact of nonadiabatic spin…
The purpose of this paper is to re-open from a practical perspective the question of the extent in altitude of the Earth's biosphere. We make a number of different suggestions for how searches for biological material could be conducted in…
Biota are found in glaciers, ice sheets and permafrost. Ice bound micro-organisms evolve in a complex mobile environment facilitated or hindered by a range of bulk and surface interactions. When a particle is embedded in a host solid near…
Ferropericlase (fp), (Mg$_{1-x}$Fe$_x$)O, the second most abundant mineral in the Earth's lower mantle, is expected to be an essential component of super-Earths' mantles. Here we present an ab initio investigation of the structure and…
The emergence of life on the Earth has required a prior organic chemistry leading to the formation of prebiotic molecules. The origin and the evolution of the organic matter on the early Earth is not yet firmly understood. Several…
Manganese(II) mobilised by mining activity poses a persistent water-quality challenge, yet the mechanisms by which low-cost sorbents, such as biochar, sequester Mn(II) remain poorly resolved. This study identifies the specific chemical…
Storing electrical energy for long periods and transporting it over long distances is an essential task of the necessary transition to a CO$_2$-free energy economy. An oxidation-reduction cycle based on iron and its oxides represents a very…
The co-reduction of metal oxide mixtures using hydrogen as a reductant in conjunction with compaction and sintering of the evolving metallic blends offers a promising alternative toward sustainable alloy production through a single,…
Context. Carbon monoxide (CO) is arguably the most important molecule for interstellar organic chemistry. Its binding to amorphous solid water (ASW) ice regulates both diffusion and desorption processes. Accurately characterizing the CO…
External magnetic fields reduce diffusion of carbon in BCC iron, but the physical mechanism is not understood. Using DFT calculations with magnetic moments sampled from a Heisenberg model, we calculate diffusivities of carbon in iron at…