Energetic Process Research Articles

Synergizing Experimentation and Computation: Predicting Energetic Potential in New Cyclo-Peroxide Compounds.

This manuscript explores the synthesis of new cyclo-peroxide compounds (CPs) through a systematic approach involving 10 different ketones and two concentrations of H2O2. Following spectroscopic analysis and calorimetric tests on 10 selected compounds, the percentage of Power Index (%PI) was calculated. The study introduces a computational methodology based on the Iterative Stochastic Elimination (ISE) algorithm. The newly constructed ISE model, with demonstrated robust predictive capabilities indicated by its statistical parameters, was employed to screen and score the CPs, assessing their potential as energetic materials. Comparison between %PI obtained experimentally, and the ISE index derived computationally revealed consistent assessments of the new CPs' energetic potential. The research emphasizes that, particularly in the synthesis of cyclic peroxides, the ISE model is a preferable and efficient tool for predicting a compound's potential as an energetic substance. Utilizing the ISE model ensures faster, more cost-effective, and safer decision-making in experimental examinations, focusing attention only on compounds with the highest ISE scores. Furthermore, the manuscript suggests an intriguing avenue for future research by proposing the investigation of ester nitrates. The study advocates a comprehensive approach that combines experimental methods (synthesis, spectroscopy, and DSC) with computational evaluation using the ISE model to identify potential high-energy compounds. This integrated approach promises to enhance the efficiency and reliability of the energetic materials discovery process.

The impact of digitalization and economic diversification on economic growth: evidence from Saudi Arabia

The present study aims to assess the impact of economic diversification and digitalization on economic growth in Saudi Arabia during the period 1990–2021. We have looked into this relationship in both the overall economic and non-oil economic sectors using the autoregressive distributed lag (ARDL) cointegration approach. The empirical results offer compelling evidence that economic diversification and digitization affect economic growth both directly and indirectly through their effects on non-oil GDP growth. The findings indicate that there is a long-run dynamic between economic growth, economic diversification, and digitalization. In the long run, digitalization contributes to the progress of non-oil economic growth and, therefore, sustainable economic growth. In addition, the causality test revealed that economic diversification develops the economy of new knowledge, which reinforces economic diversification, and non-oil economic growth supports digitalization. Consequently, digitalization played an important role in the Kingdom’s economic transition toward economic diversification. Indeed, our results prove that digitalization increases non-oil income and then reduces the supremacy of the oil sector in the economy, which promotes economic diversification. The KSA authority must accelerate the energetic transition process in order to support economic diversification and attract more foreign investment in information and communication technologies (ICTs).

Astrophysical constraints from synchrotron emission on very massive decaying dark matter

If the cosmological dark matter (DM) couples to Standard Model (SM) fields, it can decay promptly to SM states in a highly energetic hard process, which subsequently showers and hadronizes to give stable particles including e±, γ, p±, and νν¯ at lower energy. If the DM particle is very heavy, the high-energy e±, due to the Klein-Nishina cross section suppression, preferentially lose energy via synchrotron emission which, in turn, can be of unusually high energies. Here, we present previously unexplored bounds on heavy decaying DM up to the Planck scale, by studying the synchrotron emission from the e± produced in the ambient Galactic magnetic field. In particular, we explore the sensitivity of the resulting constraints on the DM decay width to (i) different SM decay channels, to (ii) the Galactic magnetic field configurations, and to (iii) various different DM density profiles proposed in the literature. We find that constraints from the synchrotron component complement and improve on constraints from very high-energy cosmic-ray and gamma-ray observatories targeting the prompt emission when the DM is sufficiently massive, most significantly for masses in excess of 1012 GeV. Published by the American Physical Society 2024

Lazy neutrophils - a lack of DGAT1 reduces the chemotactic activity of mouse neutrophils.

Neutrophils are key players in the innate immune system, actively migrating to sites of inflammation in the highly energetic process of chemotaxis. In this study, we focus on the role of acyl-CoA: diacylglycerol acyltransferase 1 (DGAT1), an enzyme that catalyzes the synthesis of triglycerides, the major form of stored energy, in neutrophil chemotaxis. Using a mouse model of psoriasis, we show that DGAT1-deficiency reduces energy-demanding neutrophil infiltration to the site of inflammation, but this inhibition is not caused by decreased glycolysis and reduced ATP production by neutrophils lacking DGAT1. Flow cytometry and immunohistochemistry analysis demonstrate that DGAT1 also does not influence lipid accumulation in lipid droplets during inflammation. Interestingly, as has been shown previously, a lack of DGAT1 leads to an increase in the concentration of retinoic acid, and here, using real-time PCR and publicly-available next-generation RNA sequencing datasets, we show the upregulation of retinoic acid-responsive genes in Dgat1KO neutrophils. Furthermore, supplementation of WT neutrophils with exogenous retinoic acid mimics DGAT1-deficiency in the inhibition of neutrophil chemotaxis in in vitro transwell assay. These results suggest that impaired skin infiltration by neutrophils in Dgat1KO mice is a result of the inhibitory action of an increased concentration of retinoic acid, rather than impaired lipid metabolism in DGAT1-deficient mice.

Oxidative stress induces extracellular vesicle release by upregulation of HEXB to facilitate tumour growth in experimental hepatocellular carcinoma.

Extracellular vesicles (EVs) play a crucial role in triggering tumour-aggressive behaviours. However, the energetic process by which tumour cells produce EVs remains poorly understood. Here, we demonstrate the involvement of β-hexosaminidase B (HEXB) in mediating EV release in response to oxidative stress, thereby promoting the development of hepatocellular carcinoma (HCC). Mechanistically, reactive oxygen species (ROS) stimulate the nuclear translocation of transcription factor EB (TFEB), leading to the upregulation of both HEXB and its antisense lncRNA HEXB-AS. HEXB-AS can bind HEXB to form a protein/RNA complex, which elevates the protein stability of HEXB. The stabilized HEXB interacts with lysosome-associated membrane glycoprotein 1 (LAMP1), disrupting lysosome-multivesicular body (MVB) fusion, which protects EVs from degradation. Knockdown of HEXB efficiently inhibits EV release and curbs HCC growth both in vitro and in vivo. Moreover, targeting HEXB by M-31850 significantly inhibits HCC growth, especially when combined with GW4869, an inhibitor of exosome release. Our results underscore the critical role of HEXB as a modulator that promotes EV release during HCC development.

Synthesis and characterization of multi-walled carbon nanotube-reinforced Ti–Mg alloy prepared by mechanical alloying and microwave sintering

Titanium-magnesium (Ti–Mg) alloy is a widely accepted bimetallic material suitable for biomedical applications. However, reduced wear and corrosion resistance, low strength and hardness, and stress shielding effect limit their widespread applications. Reinforcing multi-walled carbon nanotubes (MWCNTs) possessing low density, high modulus, and improved mechanical properties overcome the shortcomings of Ti–Mg alloy. In the present work, nanostructured Ti–Mg alloy was synthesized at room temperature and simultaneously reinforced with MWCNTs. The high energetic ball milling process (HEBM) has been successfully utilized to mechanically alloy Ti with Mg at room temperature by decreasing the grain size to the nanoscale and reinforcing the alloy with MWCNTs. The synthesized nanostructured powder size was 25 nm. Characterization results have shown the emergence of new phases like Ti4C4 and Mg2C3 as a result of mechanical alloying (MA). The reinforced alloy powder was consolidated by cold compaction and followed by microwave sintering. The consolidated sample crystallite size attained was 72 nm and then characterized by Nanoindentation, XRD, and SEM. XRD results show intermetallic compounds Mg2C3 and TiC in bulk samples. SADP TEM confirmed the retention of Nano and partial amorphous structures in the consolidated samples. The nanoindentation test revealed the hardness and elastic modulus values 0.93 GPa and 28.12 GPa, respectively, equivalent to CpTi and its associated alloys. The results are prevalent in those alloys used in biomedical applications produced by conventional melting and casting techniques and can be a potential biomaterial.

Immunohistochemical Detection of Axonal Injury in Chimpanzee (Pan troglodytes) with Traumatic and Fatal Brain Injury

Abstract Estimating the time of death after traumatic brain injury (TBI) in wildlife is a significant challenge in forensic veterinary medicine. The understanding of histopathological changes and predicting the survival time can prompt critical emergency measures and health management strategies for animals in managed care. Glial fibrillary acidic protein (GFAP) is a well-established astrocytic biomarker for diagnosing, monitoring, and predicting TBI outcomes. Moreover, the buildup of Beta-Amyloid Precursor Protein (βAPP) resulting from axonal damage is an energetic process intricately connected to the survival period following the injury. To date, no study has explored the accumulation of GFAP and βAPP in TBI chimpanzees. In human studies, the earliest reported time for detecting axonal injury postmortem in TBI using βAPP is approximately 30 minutes. This study aimed to investigate whether GFAP and βAPP staining can be used to detect postmortem axonal injury within 30 minutes in TBI chimpanzees. Cerebral and cerebellar tissues from a postmortem TBI chimpanzee and control samples were screened for immunopositivity for GFAP and βAPP in neurons using immunohistochemistry and immunofluorescence. The results suggested that neuronal immunopositivity for GFAP was likely a staining artifact, as negative controls also showed neuronal GFAP staining. However, it was not easy to assume the absence of post-traumatic neuronal GFAP. Conversely, the βAPP assay results indicated that axonal damage can be detected within 22 minutes after death, marking the fastest recorded time to date and aiding in diagnosing severe TBI with short survival times. In conclusion, we demonstrated that the axonal damage in captivated chimpanzee caused by severe and sudden concussion can be detected with βAPP staining within 22 minutes.

Applying the Fliperentiation approach to teaching geography in primary education: students’ and parents’ perceptions

ABSTRACT This article is part of a wider research effort, the object of which is to examine the implementation of the Fliperentiation approach in the context of teaching Geography to primary school students. This paper focuses on exploring the experiences of students and their parents regarding the new approach which combines the flipped classroom model with the approach of differentiated instruction. Interactive videos and educational games were created and delivered by the teacher-researcher using the free digital educational platform ‘e-me’. The educational action research was conducted in Greece. Semi-structured interviews were used to investigate the perceptions of 18 students and their parents, while the thematic inductive technique was used to analyse data. Results indicated that Fliperentiation had a particularly positive acceptance by both students and parents. Fliperentiation turned the learning in a more energetic process, developed students’ interaction, engaged them in active learning and contributed to a more autonomous learning.

Depolymerization of PMMA-Based Dental Resin Scraps on Different Production Scales

This research explores the depolymerization of waste polymethyl methacrylate (PMMAW) from dental material in fixed bed semi-batch reactors, focusing on three production scales: laboratory, technical and pilot. The study investigates the thermal degradation mechanism and kinetics of PMMAW through thermogravimetric (TG) and differential scanning calorimetry (DSC) analyses, revealing a two-step degradation process. The heat flow during PMMAW decomposition is measured by DSC, providing essential parameters for designing pyrolysis processes. The results demonstrate the potential of DSC for energetic analysis and process design, with attention to standardization challenges. Material balance analysis across the production scales reveals a temperature gradient across the fixed bed negatively impacting liquid yield and methyl methacrylate (MMA) concentration. Reactor load and power load variables are introduced, demonstrating decreased temperature with increased process scale. The study identifies the influence of temperature on MMA concentration in the liquid fraction, emphasizing the importance of controlling temperature for efficient depolymerization. Furthermore, the research highlights the formation of aromatic hydrocarbons from the remaining char, indicating a shift in liquid composition during the depolymerization process. The study concludes that lower temperatures below 450 °C favor liquid fractions rich in MMA, suggesting the benefits of lower temperatures and slower heating rates in semi-batch depolymerization. The findings contribute to a novel approach for analyzing pyrolysis processes, emphasizing reactor design and economic considerations for recycling viability. Future research aims to refine and standardize the analysis and design protocols for pyrolysis and similar processes.

Dynamics simulation and product quality consistency optimization of energetic material extrusion process

Dynamics simulation and product quality consistency optimization of energetic material extrusion process

Neutral current neutrino-electron scattering and generalized uncertainty principle

In this article, we study the effect of quantum gravitational corrections on neutrino electron scattering in electroweak theory SU(2) L × U(1) Y . We consider a neutrino that scatters off an electron by an exchange of a massive neutral gauge boson. In the minimal length formalism, starting from the equation of motion for a massive gauge field we obtain the propagator. And currents are obtained from the action for a massless Dirac fermion. Scattering amplitudes and differential cross sections as function of inelasticity variable y are obtained using expressions of the propagator and leptonic current. All usual expressions are recovered when the deformation parameter α tends to zero. We find that quantum gravitational effects become important only for a highly energetic process with a momentum transfer being much greater than the neutral gauge boson mass.

SrTiO3 Epitaxially Protected Si-Photocathode for Photoelectrochemical Water Splitting

Although silicon has been demonstrated to be one of the best photoelectrochemical (PEC) substrate materials thanks to its low cost, mature manufacturing technique, and high theoretical photovoltage and saturation current density [1], the development of robust Si-based PEC device has remained an existing challenge due to the fact that it is very easily susceptible to (photo)corrosion under PEC operational conditions [2]. Therefore, a suitable protective layer over the Si substrate which is able to simultaneously provide the corrosion resistance and retain a highly efficient charge transfer across the photoelectrode device is highly desired [3].To this end, we prepared high-quality SrTiO3 (STO) layer to passivate p-Si substrate via the mediation of an epitaxial enabler reduced graphene oxide (rGO) using the pulsed laser deposition (PLD) technique. STO layers with different thicknesses were prepared on both rGO-buffered and bare Si substrates to investigate the effects of epitaxy and charge carrier migration distance on the PEC performance. It was realized that very thin (3.9 nm ~ 10 unit cells) STO layer epitaxially overgrown on rGO-buffered Si showed the highest onset potential (0.326 V vs RHE, defined as potential at -0.1 mA cm-2) than the counterparts with thicker and/or non-epitaxial STO. The photovoltage and flat-band potential analyses, and the electrochemical impedance spectroscopy measurements showed that the epitaxial protected photocathode was more beneficial for charge separation, charge transfer, and the targeted redox reaction (hydrogen evolution reaction in this case) than the non-epitaxial one. The STO/rGO/Si with a smooth and highly epitaxial STO layer outperforming the direct contacted STO/Si with textured and polycrystalline STO layer underscored the importance of having well-defined passivation layer. In addition to that, numerous pinholes formed in STO/Si attributable to highly energetic bombardment process in the PLD deposition led to a rapid degradation of photocathode during PEC measurements, possibly because the electrolyte could easily penetrate into the film and consequently corrode the substrate. Single-oriented STO realized by rGO-buffered substrate potentially rendered easier path for charge migration, and the thinnest STO layer provided the shortest transportation route while maintained the robust protection ability. Polycrystalline STO in direct contacted STO/Si however presented more recombination sites which eventually impaired the PEC performance. Smooth surface of high-quality epitaxial STO layer with sub-nano roughness demonstrated to be a pivotal factor in remotely protecting underlying p-Si substrate from corrosion, while the presence of pinholes in non-epitaxial sample showed a similar degradation rate as bare Si substrate which was without any protection. We also studied the capability of STO layer in protecting underlying Si substrate from corrosion, and the long-term stability tests demonstrated the robustness of epitaxial STO layer-coated photocathode in comparison to bare Si.We demonstrated that STO layer overgrown on Si buffered with few-layer epitaxy enabler rGO could promote charge carrier transfer across the photocathode and lead to better PEC performance. Through a series of in-situ and ex-situ characterizations we verified that the addition of rGO layer could significantly alter the STO layer crystallinity and thin film morphology and, most importantly, enhance the stability of Si photocathode with only 10 unit cells layer. This study reported a facile approach for preparing a robust protection layer over photoelectrode substrate in realizing efficient and at the same time durable PEC device. Acknowledgement: This study was supported by Slovenian Research Agency (Project No. N2-0187) and the Czech Science Foundation (Project No. 21-20110K). We also thank the supports from Mr. Damjan Vengust in electron microscope observations, Mr. Jožko Fišer in Pt thin film preparation, Dr. Vasko Jovanovski in discussion of electrochemical measurements.

Ti-Al-C Based MAX Phase Coating As Corrosion Protection for Ferritic Bipolar Plates

Metallic bipolar plates in fuel cells have the advantages of high electrical conductivity, low permeability to the reactants and gases, and easy manufacturability. However, resistance to corrosion under long term operation conditions limits their practical use in the fuel cell. Owing to the importance of corrosion stability, materials such as austenitic stainless steels, Ni-based alloys and coated titanium or stainless steel plates are currently being used in bipolar plates, although ferritic steels would be cost effective. A pinhole-free anticorrosion coating can help in application of the ferritic steels in fuel cells. MAX phase materials offer excellent corrosion stability and high electronic conductivity and have been successfully tested for corrosion protection of metallic bipolar plates. In the current work, Ti-Al-C-based MAX phase coatings were prepared using high power impulse magnetron sputtering (HiPIMS). The HiPIMS process was in some cases also combined with plasma immersion ion implantation (PIII) to study the influence of the high energetic ion implantation process on the structure and performance of the resulting MAX phase layer. The deposited samples were annealed at 800 °C for 2 h in Ar atmosphere. The structure and composition of the coatings produced were studied with X-ray photoelectron spectroscopy, atom probe tomography and transmission electron microscopy. The corrosion performance of the layers was studied using a scanning flow cell coupled with inductively coupled plasma mass spectroscopy.

“It’s team work”: Multilayered wear-resistant and lubricating overcoats derived from the synergy of ultrathin carbon surface and interface chemistry

High friction and wear remain the major concerns in moving mechanical assemblies (MMAs), leading to an excessive amount of wasted energy and premature system failure. While the use of protective overcoats on the moving surfaces is a common solution to overcome these limitations, achieving excellent tribological characteristics at ultrathin overcoat thicknesses remains very challenging. Here, by combining the benefits arising from an enhanced carbon surface and a robust substrate-overcoat interface chemistry, we report the development of tribologically resilient sub-5 nm carbon-based overcoats on mechanically soft metallic alloy substrates which show considerably lower friction and higher wear resistance than commercially grown overcoats. The use of an interlayer coupled with an energetic process for carbon growth not only enhanced the sp3 carbon bonding content but also promoted interatomic mixing and the formation of hybrid bonds that significantly improved the interfacial strength and hence the substrate-overcoat adhesion, demonstrating excellent wear resistance in a rigorous tribological environment. Moreover, further modifying the overcoat surface with a composite layer of multilayer graphene flakes and multiwall carbon nanotubes was shown to immensely boost the lubricity and wear durability.

Rapid glacial sedimentation and overpressure in oozes causing large craters on the mid-Norwegian margin: integrated interpretation of the Naust, Kai and Brygge formations

Abstract Along continental margins with rapid sedimentation, overpressure may build up in porous and compressible sediments. Large-scale release of such overpressure has major implications for fluid migration and slope stability. Here, we study if the widespread crater-mound-shaped structures in the subsurface along the mid-Norwegian continental margin are caused by overpressure that accumulated within high-compressibility oozes sealed by low-permeability glacial muds. We interpret 56 000 km 2 of 3D and 150 000 km 2 of 2D-cubed seismic data in the Norwegian Sea, combining horizon picking, well ties and seismic geomorphological analyses of the crater-mound landforms. Along the mid-Norwegian margin, the base of the glacially influenced sediments abruptly deepens to form 28 craters with typical depths of c. 100 m, areal extents of up to 5130 km 2 and volumes of up to 820 km 3 . Mounds are observed in the vicinity of the craters at several stratigraphic levels above the craters. We present a new model for the formation of the craters and mounds where the mounds consist of remobilized oozes evacuated from the craters. In our model, repeated and overpressure-driven sediment failure is interpreted to cause the crater-mound structures, as opposed to erosive megaslides. Seismic geomorphological analyses suggest that ooze remobilization occurred as an abrupt energetic and extrusive process. The results also suggest that rapidly deposited, low-permeability and low-porosity glacial sediments seal overpressure that originated from fluids being expelled from the underlying high-permeability and high-compressibility biosiliceous oozes.

Impact Induced Oxidation and Its Implications for Early Mars Climate

AbstractH2 in a CO2 atmosphere may serve as a potential solution to the early Mars climate paradox, but its unknown sources cast doubts on the proposed mechanism. Impact cratering is an energetic process that may modify the surface redox budget. Here, we investigate the potential influence of impact‐related melt oxidation and serpentinization on global climate conditions. We show that impact melt and the projectile's significant oxidizing potential during basin‐forming impacts (Basin size ≥1,250 km) result in sufficient H2 to raise the global mean temperature to above 273K, which lasts for up to 105 − 106 yr considering rate‐limited regime. Impact‐induced serpentinization has limited consequences on the global climate in comparison. Episodic warming after large impacts may have enabled the presence of liquid water for up to several million years in the Noachian, resulting in the chemical evolution of the planet's surface co‐evolving with the planetary atmosphere in an episodic manner.

Influence of focus offset on the microstructure of an intermetallic γ-TiAl based alloy produced by electron beam powder bed fusion

It is well established in literature that, when processing intermetallic γ-TiAl components by electron beam powder bed fusion, a banded microstructure is frequently formed because of an inhomogeneous Al distribution since more pronounced evaporation of Al occurs at the top of the melt pool.This feature is particularly promoted when highly energetic process parameters (high beam currents, slow beam speeds, narrow line offsets) are used. Therefore, an approach already suggested in the literature to reduce the Al loss is to minimize the energy level of the process parameter during production. However, there is a limit to such kind of approach: minimizing the beam current or increasing the beam speed, or increasing the line offset will, at a certain point, results in not being able to achieve a completely dense material and thus some process-induced porosity, the so-called lack-of-fusion defects, starts to occur in the produced parts.In this study, the effect of an additional parameter of the electron beam powder bed fusion process is taken under consideration: the focus offset (FO), i.e. the distance between the focusing plane of the electron beam with respect to the powder bed. The effect of the FO on the residual porosity, microstructure, phase composition, hardness as well as chemical composition is investigated, thus having the possibility to demonstrate that also the FO can affect the Al loss and play a fundamental role in the generation of a homogenous microstructure, contributing to mitigate the appearance of a banded microstructure.

Be prepared: Does psychological reattachment buffer the effect of a bad night's sleep on day‐specific work engagement and proactivity?

AbstractPsychological reattachment means mentally tuning into one's work before starting work in the morning. In this daily diary study, we investigated whether psychological reattachment may be beneficial not only for work engagement but also for proactivity during the day. We moreover considered two competing theoretical propositions regarding the role of psychological reattachment in the effect of sleep quality on work engagement and proactivity. The first proposition assumes a cognitive, self‐regulatory perspective in which psychological reattachment serves as a moderator, buffering the detrimental effect of poor sleep quality on work engagement and proactivity. The second proposition assumes an energetic process in which psychological reattachment may benefit from a good night's sleep and thus serve as a mediator for the beneficial effect of sleep quality on work engagement and proactivity. We conducted a daily diary study over ten consecutive workdays. Altogether, we collected data from 171 employees on 1186 days. The results indicated that on days with good sleep quality and higher psychological reattachment, work engagement and proactivity were higher. Day‐specific psychological reattachment buffered the negative effects of a poor night's sleep on work engagement, supporting the first of our competing hypotheses. Finally, we present ideas on how to foster psychological reattachment in practice.

Pyrolysis Kinetics of Byrsonima crassifolia Stone as Agro-Industrial Waste through Isoconversional Models.

This study is aimed at the analysis of the pyrolysis kinetics of Nanche stone BSC (Byrsonima crassifolia) as an agro-industrial waste using non-isothermal thermogravimetric experiments by determination of triplet kinetics; apparent activation energy, pre-exponential factor, and reaction model, as well as thermodynamic parameters to gather the required fundamental information for the design, construction, and operation of a pilot-scale reactor for the pyrolysis this lignocellulosic residue. Results indicate a biomass of low moisture and ash content and a high volatile matter content (≥70%), making BCS a potential candidate for obtaining various bioenergy products. Average apparent activation energies obtained from different methods (KAS, FWO and SK) were consistent in value (~123.8 kJ/mol). The pre-exponential factor from the Kissinger method ranged from 105 to 1014 min-1 for the highest pyrolytic activity stage, indicating a high-temperature reactive system. The thermodynamic parameters revealed a small difference between EA and ∆H (5.2 kJ/mol), which favors the pyrolysis reaction and indicates the feasibility of the energetic process. According to the analysis of the reaction models (master plot method), the pyrolytic degradation was dominated by a decreasing reaction order as a function of the degree of conversion. Moreover, BCS has a relatively high calorific value (14.9 MJ/kg) and a relatively low average apparent activation energy (122.7 kJ/mol) from the Starink method, which makes this biomass very suitable to be exploited for value-added energy production.

Carbon dioxide hydrogenation over the carbon-terminated niobium carbide (111) surface: a density functional theory study.

Carbon dioxide (CO2) hydrogenation is an energetic process which could be made more efficient through the use of effective catalysts, for example transition metal carbides. Here, we have employed calculations based on the density functional theory (DFT) to evaluate the reaction processes of CO2 hydrogenation to methane (CH4), carbon monoxide (CO), methanol (CH3OH), formaldehyde (CH2O), and formic acid (HCOOH) over the carbon-terminated niobium carbide (111) surface. First, we have studied the adsorption geometries and energies of 25 different surface-adsorbed species, followed by calculations of all of the elementary steps in the CO2 hydrogenation process. The theoretical findings indicate that the NbC (111) surface has higher catalytic activity towards CO2 methanation, releasing 4.902 eV in energy. CO represents the second-most preferred product, followed by CH3OH, CH2O, and HCOOH, all of which have exothermic reaction energies of 4.107, 2.435, 1.090, and 0.163 eV, respectively. Except for the mechanism that goes through HCOOH to produce CH2O, all favourable hydrogenation reactions lead to desired compounds through the creation of the dihydroxycarbene (HOCOH) intermediate. Along these routes, CH3* hydrogenation to CH4* has the highest endothermic reaction energy of 3.105 eV, while CO production from HCO dehydrogenation causes the highest exothermic reaction energy of -3.049 eV. The surface-adsorbed CO2 hydrogenation intermediates have minimal effect on the electronic structure and interact only weakly with the surface. Our results are consistent with experimental observations.