Related papers: How Soil Organic Matter Composition Controls Hexac…
The fate of organic pollutants in the environment is influenced by several factors including the type and strength of their interactions with soil components especially SOM. However, a molecular level answer to the question How organic…
In-depth understanding of the sorption mechanisms of organic pollutants, like the antibiotic sulfanilamide (SAA), in soil requires a combined experimental and theoretical approach. Therefore, sorption experiments of SAA on…
The biogeochemical complexity of environmental models is increasing continuously and model reliability must be reanalysed when new implementations are brought about. This work aim to identify influential biogeochemical parameters that…
The structures and energetics of organic molecules adsorbed onto clean and H-passivated Si(001)-(2$\times$1) surfaces have been calculated using density functional theory. For benzene adsorbed on the clean Si surface the tight-bridge…
The design of low-dimensional organic-inorganic interfaces for the next generation of opto-electronic applications requires an in-depth understanding of the microscopic mechanisms ruling electronic interactions in these systems. In this…
Complex organic molecules (COMs) have been identified in different environments in star- forming regions. Laboratory studies show that COMs form in the solid state, on icy grains, typically following a non-energetic (atom-addition) or…
Metal-organic frameworks (MOFs) are promising materials for gas sensing but are often limited to single-use detection. We demonstrate a hybridization strategy synergistically deploying conductive MOFs (cMOFs) and conductive polymers (cPs)…
Upon film growth by physical vapor deposition, the preferential orientation of polar organic molecules can result in a non-zero permanent dipole moment (PDM) alignment, causing a macroscopic film polarization. This effect, known as…
This computational study investigates glyphosate adsorption mechanisms on hydroxyl-functionalized carbon nanotubes (CNTs) as an alternative approach for environmental remediation. Single-walled CNTs with (10,0) zigzag chirality were…
Plants, being sessile organisms, have evolved a variety of defense mechanisms to protect themselves from invaders such as pathogens, insects, and herbivores. One key strategy is the release of volatile organic compounds (VOCs) into the air,…
H-abstraction reactions occurring on electron ionization mass spectrometry (EI-MS) are a long-standing and crucial topic in MS research. Yet some critical relevant mechanisms are controversial and ambiguous, and information about the…
A partial submillimeter line-survey was performed toward 7 high-mass young stellar objects (YSOs) aimed at detecting H2CO, CH3OH, CH2CO, CH3CHO, C2H5OH, HCOOH, HNCO and NH2CHO. In addition, other organic species such as CH3CN have been…
Compost is used worldwide as a soil conditioner for crops, but its functions have still been explored. Here, the omics profiles of carrots were investigated, as a root vegetable plant model, in a field amended with compost fermented with…
The instability of organometal halide perovskites when in contact with water is a serious challenge to their feasibility as solar cell materials. Although studies of moisture exposure have been conducted, an atomistic understanding of the…
Interactions of hydrocarbons (HCs) and clay surfaces are responsible for fluid behaviour within shale reservoirs. These interactions are affected by the diversity of HC components and the variations in environmental conditions. This study…
The present research work is focused on the effect of activation procedure on the hydrogen absorption-desorption properties of new rare earth transition metal compound based on Sm(Co0.6Fe0.2Zr0.16B0.04)7.5 composition. Crystal structure and…
We demonstrate that cyclooctatetraene (COT) can be stabilised in different conformations when adsorbed on different noble-metal surfaces due to varying molecule-substrate interaction. While at first glance the behaviour seems to be in…
Biologically relevant abiotic extraterrestrial soluble organic matter (SOM) has been widely investigated to study the origin of life and the chemical evolution of protoplanetary disks. Synthesis of biologically relevant organics, in…
Molecular self-assembly has been extensively used for surface modification of metals and oxides for a variety of applications, including molecular and organic electronics. One of the goals of this research is to learn how the electronic…
Hydrogen is deemed as an attractive energy carrier alternative to fossil fuels, and it is required to store for many applications. Physisorption is one of the promising ways to store H$_2$ for its practical applications. Covalent Organic…