This comprehensive study was dedicated to augmenting the sensing capabilities of Ni@GP_PEDOT@H₂S through the strategic functionalization with nitrogen, phosphorus, and sulfur heteroatoms. Governed by density functional theory (DFT) computations at the gd3bj-B3LYP/def2svp level of theory, the investigation meticulously assessed the performance efficacy of electronically tailored nanocomposites in detecting H₂S gas—a corrosive byproduct generated by sulfate reducing bacteria (SRB), bearing latent threats to infrastructure integrity especially in the oil and gas industry. Impressively, the analysed systems, comprising Ni@GP_PEDOT@H₂S, N_Ni@GP_PEDOT@H₂S, P_Ni@GP_PEDOT@H₂S, and S_Ni@GP_PEDOT@H₂S, unveiled both structural and electronic properties of noteworthy distinction, thereby substantiating their heightened reactivity. Results of adsorption studies revealed distinct adsorption energies (− 13.0887, − 10.1771, − 16.8166, and − 14.0955 eV) associated respectively with N_Ni@GP_PEDOT@H₂S, P_Ni@GP_PEDOT@H₂S, S_Ni@GP_PEDOT@H₂S, and Ni@GP_PEDOT systems. These disparities vividly underscored the diverse strengths of the adsorbed H₂S on the surfaces, significantly accentuating the robustness of S_Ni@GP_PEDOT@H₂S as a premier adsorbent, fuelled by the notably strong sulfur-surface interactions. Fascinatingly, the sensor descriptor findings unveiled multifaceted facets pivotal for H₂S detection. Ultimately, molecular dynamic simulations corroborated the cumulative findings, collectively underscoring the pivotal significance of this study in propelling the domain of H₂S gas detection and sensor device innovation.

The extraction, processing, and utilization of petroleum often results in the release of diverse hydrocarbon pollutants into the environment, leading to severe ecological and health implications. Herein, the adsorption and separation of ethane (EAN), ethene (EEN), ethyne (EYN), and benzene (BZN) fractions of paraffin, olefin, acetylene, and aromatic petroleum hydrocarbons were investigated via the catalytically engineered nickel group transition metals; nickel (Ni), palladium (Pd), and platinum (Pt). These transition metals were coordinated on Germanium-doped graphitic carbon nitride (Ge@g-C₃N₄) nanostructures, and the behavior of the systems was studied through Kohn–Sham density functional theory (KS-DFT) with the B3LYP–D3(BJ)/Def2-SVP computational method. The adsorption of petroleum hydrocarbons decreased in the order Ge_Ni@C₃N₄ > Ge_Pd@C₃N₄ > Ge_Pt@C₃N_4>Ge_Pt@C₃N₄. These results showed that the coordination of Ni, Pd, and Pt within Ge@C₃N₄ improved the separation of petroleum hydrocarbons.

This study addresses the formidable persistence of tetracycline (TC) in the environment and its adverse impact on soil, water, and microbial ecosystems. To combat this issue, an innovative approach by varying polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) units and the subsequent interaction with Ti-doped graphene/boron nitride (Ti@GP_BN) nanocomposites was applied as catalysts for investigating the molecular structure, adsorption, excitation analysis, and photodegradation mechanism of tetracycline within the framework of density functional theory (DFT) at the B3LYP-gd3bj/def2svp method. This study reveals a compelling correlation between the adsorption potential of the nanocomposites and their corresponding excitation behaviors, particularly notable in the fifth and seventh units of the polythiophene configuration. These units exhibit distinct excitation patterns, characterized by energy levels of 1.3406 and 924.81 nm wavelengths for the fifth unit and 1.3391 and 925.88 nm wavelengths for the seventh unit. Through exploring deeper, the examination of the exciton binding energy emerges as a pivotal factor, bolstering the outcomes derived from both UV-vis transition analysis and adsorption exploration. Notably, the calculated exciton binding energies of 0.120 and 0.103 eV for polythiophene units containing 5 and 7 segments, respectively, provide compelling confirmation of our findings. This convergence of data reinforces the integrity of our earlier analyses, enhancing our understanding of the intricate electronic and energetic interplay within these intricate systems. This study sheds light on the promising potential of the polythiophene/Ti-doped graphene/boron nitride nanocomposite as an efficient candidate for TC photodegradation, contributing to the advancement of sustainable environmental remediation strategies. This study was conducted theoretically; hence, experimental studies are needed to authenticate the use of the studied nanocomposites for degrading TC.

The extensive use of pesticides has raised concerns about environmental contamination, which poses potential health risks to humans and aquatic life. Hence, the need for a healthy and friendly ecosystem initiated this study, which was modeled through profound density functional theory (DFT) at the B3LYP-D3(BJ)/def2svp level of theory to gain insights into the electronic characteristics of germanium-doped graphitic carbon nitride (Ge@C3N4) engineered with nickel group transition metals (Ni, Pt, and Pd) as sensors for diazinon (DZN), an organophosphorus pesticide pollutant. To effectively sense diazinon, this research employed a variety of methodologies, beginning with the analysis of electronic properties, intermolecular investigations, adsorption studies, and sensor mechanisms. These detailed assessments revealed insightful results, as clearly indicated by their narrow energy gap and other electronic properties. Noncovalent interactions characterized by van der Waals forces were revealed predominantly by quantum atoms in molecules (QTAIM) and noncovalent interaction (NCI) analyses. Furthermore, the results of the adsorption studies, which measured the strength of the interaction between the pesticide molecules and the nanostructures, revealed favorable results characterized by negative adsorption energies of − 1.613, − 1.613, and − 1.599 eV for DZN_Ge@C3N4, DZN_Ni_Ge@C3N4, and DZN_Pd_Ge@C3N4, respectively. The simulated mechanism through which diazinon is sensed revealed favorable results, as observed by the negative Fermi energy and fraction of electron transfer (∆N), as well as a high dipole moment. This study also revealed that the codoping influenced the behavior of the systems, revealing that DZN_Ni_Ge@C3N4 was the best sensing system because of its strongest adsorption (− 1.613 eV), highest dipole moment (8.348 D), most negative Fermi energy (− 1.300 eV), lowest work function (1.300 eV), and good ∆N (− 1.558) values. This study, therefore, proposes these nanostructures for further in vitro studies seeking to sense diazinon and other pesticides to maintain healthy ecosystems.

The National Youth Service Corps (NYSC) Community Development Services (CDS) programme in Nigeria is designed to promote societal development and equip graduates with practical skills. However, opinions differ on how effective the programme is, especially regarding the involvement of corps members and the influence of factors like age, gender, marital status, and educational qualifications. This study looked into the demographic factors that affect graduates’ participation in the CDS programme. Using an electronic questionnaire, data were gathered from 19,278 former corps members from the 2019–2021 cohorts and earlier participants. The questionnaire was reliable, with Cronbach’s alpha values between 0.87 and 0.92. The responses were analysed using descriptive and inferential statistics, including one-sample t -tests, independent t -tests, and one-way ANOVA. The results indicated that corps members were more involved in CDS activities than expected. Age, gender, and marital status had no significant influence on participation in CDS activities by corps, but educational qualifications had a significant influence; those with higher qualifications were more involved. These findings can help policymakers, educators, and community organisations design better ways to encourage corps members to engage more effectively in community services, creating a stronger impact in different areas across the country.

Indigenous arts, crafts, and culture are critical components of the world's diverse cultural heritage. Unfortunately, preserving this rich heritage remains challenging for most developing countries, especially with the increasing use of electronic media and the marginalisation of indigenous communities. This chapter discussed digital documentation strategies for Nigerian indigenous arts, crafts, and cultures to support future historical research engagements and tourism. It begins by examining indigenous arts, crafts, and cultures, such as stone carving, bronze and brass, weaving, pottery, etc. It tackled the importance and challenges of electronic documentation of these indigenous arts for historical research and tourism. Some case studies of successful electronic documentation of indigenous arts, crafts, and cultures in other societies were reviewed. Lessons were drawn from such previous efforts to shape future initiatives. It was concluded that documenting and preserving indigenous arts, crafts, and cultures is crucial for promoting and preserving cultural heritage. Request access from your librarian to read this chapter's full text.