In QSPR research, topological descriptors combined with entropy measures may be a more effective tool. Quality tests of spectrum-based valency and distance-based molecular descriptors for polycyclic aromatic and benzenoid hydrocarbons with applications to carbon nanotubes and nanocones were conducted by Ha...
Screen and Evaluate, andAssemblesteps, as shown here for Zn tetramer-pcu MOFs (see Table1for unique linker fragments of Zn tetramer node). First, we generate new linkers via theDiffuse and Denoisestep. We then add hydrogen atoms to ensure correct valency of the generated linkers. Next, we ...
In QSPR research, topological descriptors combined with entropy measures may be a more effective tool. Quality tests of spectrum-based valency and distance-based molecular descriptors for polycyclic aromatic and benzenoid hydrocarbons with applications to carbon nanotubes and nanocones were conducted by Ha...
Climate change has been shown to have a negative influence on terrestrial ecosystems, food security, and has considerably contributed to land degradation and desertification [2,3,4,5]. The increased greenhouse efflux has exacerbated the rate of the harmful effects of climate change [6,7,8]. ...
On noble metals (e.g., Pt, Ir, Au), the region of potential in which the OER is studied is far removed from the potential of zero charge in the positive direction. Thus, only negatively charged impurities will be heavily adsorbed, and the nature of the anion in the electrolyte will in...
If the NPV was positive, then the project was considered valuable; if the NPV was negative, then the project was considered unprofitable. 𝑁𝑃𝑉=∑𝑖=1𝑖=𝑛𝐶𝑖(1+𝑟)𝑖−𝐶0NPV=∑i=1i=nCi1+ri−C0 where C0 is the initial investment, Cn is the n year cash ...
In the modern world, one of the key problems that concern humanity is environmental pollution, which has become a growing problem and is of serious negative effects. In the modern world, one of the key problems that concern humanity is the reduction in environmental pollution, especially of the...
Specifically, functionalized single-walled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs) were found to exhibit significant antibacterial activity towards both gram-positive and gram-negative bacteria [23,24]. CNTs’ properties, such as carbon nanotube diameter [25], length [26...
Harnessing solar energy has been an enormous blessing as it has reduced the burden on conventional generators and has also helped in lessening the negative impacts of non-renewable sources of energy. Here, we look into some structural configurations of dye-sensitized solar cells (DSSCs) that util...
Thus, the basic surface groups on carbon may attract MB molecules either by dipole–dipole interactions between negative oxygen sites and positive nitrogen of MB and/or by hydrogen bonding between the phenol groups of carbon and the aromatic rings of MB [27,54,56]. In the latter case, XPS ...