ArticleJournal of xenobiotics2026
A DFT Perspective on Cd
Article in Journal of xenobiotics, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The efficient removal of toxic heavy metals from wastewater remains a critical environmental challenge. Faujasite (FAU) zeolite is highly effective for this purpose due to its high surface area, microporous structure, and exceptional ion exchange capacity. This study employs density functional theory (DFT) calculations to investigate the thermodynamics and geometry of Cd2+ capture by two distinct processes: (i) ion exchange and (ii) CaCO3/FAU adsorption. We systematically identify preferential binding sites and calculate binding energies for Cd2+ within the FAU framework. As a key result, the current theoretical modeling confirms previous experimental observations that dispersed CaCO3 units on the surface of faujasite enhance Cd2+ adsorption compared to aggregated units. The computed binding energies for the dispersed configuration range from -54 kcal/mol to -60 kcal/mol, depending on the number of CaCO3 units. These findings provide a fundamental theoretical perspective and represent a first step toward understanding Cd2+ removal by modified zeolites.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.