Calculation Of Energy Density Research Articles

Gauge invariance, gauge field quantization, and renormalization in autoregularization

Autoregularization, a new divergence-free framework for calculating scattering amplitudes, uses a Lorentz-invariant scale harvested from the kinematics of a scattering process to regularize the amplitude of the process [N. Prabhu, .]. Preliminary validation studies show that autoregularization’s predictions are in good agreement with experimental data—across several scattering processes and a wide range of energy scales. Further, tree-level calculation of the vacuum energy density of the free fields in the Standard Model, using autoregularization, is shown to yield a value that is smaller than the current estimate of the cosmic critical density. In this paper, we prove that the scattering amplitudes in QED, calculated using autoregularization, are gauge invariant. Our proof, which is valid both for autoregularization and current theory, is stronger in that it shows the amplitude of every Feynman diagram is gauge invariant in contrast to previous proofs, which establish gauge invariance only for sum of amplitudes of Feynman diagrams of a process. Next, we show that—unlike in the standard quantization framework, which requires modification of both the quantization framework itself as well as the Lagrangian in order to quantize gauge fields in covariant gauge—in autoregularization the gauge field in QED can be quantized, in covariant gauge, without modifying the standard quantization procedure or the Lagrangian and without introducing the ghost field. Finally, we illustrate renormalization based on autoregularization up to 1-loop in φ4 theory. Since perturbative corrections are finite in autoregularization, the counterterms are not designed to remove divergences but to implement renormalization prescriptions at every order of perturbation. We also derive the renormalization group equation (RGE). Unlike in some regularization schemes (such as dimensional regularization), in which the physical meaning of the fictitious scale introduced by regularization is unclear, in autoregularization the scale in RGE has a transparent physical meaning—it is the Lorentz-invariant kinematic scale of the scattering process of interest. The increasing simplifications resulting within autoregularization and the agreement between its predictions and experimental data, together with the underlying thermodynamic argument, which shows that the framework is essential for a complete description of quantum fields, all converge to suggest that autoregularization provides the proper framework for the description of quantum fields. Published by the American Physical Society 2024

Study on Fracture Characteristics of Layered Sandstone under Asymmetric Loading.

In engineering practice, layered rock masses often display obvious anisotropy while deforming and failing, and the failure mode directly impacts the engineering construction stability. In this study, the fracture failure load, fracture toughness, crack deflection angle, and failure mode of a layered rock mass under different fracture modes were analyzed by utilizing improved asymmetric semi-circular disc specimens. According to the constitutive model of transversely isotropic materials, the maximum tensile stress (MTS), maximum energy release rate (MERR), and maximum strain energy density (MSED) calculation formulas were modified, and the calculation formulas of the three prediction criteria under anisotropic materials were derived. The calculation results were compared with the experimental results. The results show that the fracture toughness and crack deflection angle were significantly affected by the weak bedding plane. As a result of applying the MTS criterion, the results are closer to the experimental results, providing a solid foundation for engineering deformation, failure, and fracture analyses.

Organosulfur Cathodes in Lithium Metal Batteries: Bridging the Gap between Fundamentals and Practical Applications

AbstractHigh‐specific energy sulfur‐based cathodes have attracted considerable interest in lithium batteries. Organosulfur cathodes offer inherent advantages of high element abundance and an extended cycling life, aligning with the evolving requirements of future energy storage devices. Over the past decade, research efforts have been devoted to optimizing electrochemical performance through the rich and tunable molecular structures of organosulfur compounds. To further advance the fundamental research and practical application of lithium‐organosulfur batteries, a systematical analysis of the correlation between the molecular structures and electrochemical mechanisms of organosulfur cathodes is imperative. This involves deriving the key parameters at the cell level and investigating the feasibility. In this review, the thermodynamics, reaction processes, and electrochemical kinetics of organosulfur cathodes, grounded in fundamental theories of electrochemistry and materials science are discussed. Expanding the insights, comparisons among elemental sulfur, organosulfur, and n‐type organic cathodes (e.g., carbonyl cathodes) are drawn. The gap between fundamentals and practical applications targeting 500 Wh kg−1 lithium organosulfur batteries is highlighted through energy density calculations and identification of key factors affecting pouch cells. Finally, potential strategies and prospects for the overall design of advanced lithium‐organosulfur batteries are proposed, considering both theoretical foundations and practical implementations.

Measures of Performance of Vanadium and Other Redox Flow Batteries

Abstract The Vanadium redox flow battery and other redox flow batteries have been studied intensively in the last few decades. The focus in this research is on summarizing some of the leading key measures of the flow battery, including state of charge (SoC), efficiencies of operation, including Coulombic efficiency, energy efficiency, and voltage efficiency, and energy density. New formulas are presented to allow calculation of energy density, under varying circumstances, including varying ionic electrolyte concentrations, terminal voltage, discharge times and cycle numbers, and electron exchange numbers in the redox chemical reactions. Effects of ionic crossover and side reactions are addressed, and it is shown which forms of energy density are robust against these additional undesirable chemical reactions.

Flexible photodetector for broadband detection using wurtzite phase CuFeS2 nanoparticles

In the realm of electronic devices, a rising demand for flexible and enhanced performance has emerged. Current research predominately centres on optoelectronics and sensors within the flexible devices’ domain. A flexible photodetector, utilizing CuFeS2 (CFS), is crafted on a cellulose paper substrate. Employing the hand printing method, a thin film of CFS on a graphene-based transporting layer is fabricated. The wurtzite phase of the material synthesized using microwave−assisted method is confirmed by X−ray diffraction (XRD) and Raman spectroscopy, with compositional details provided by energy dispersive X−ray analysis. Comprehensive XRD based calculations of size, stress, strain and energy density are conducted using three different models - Uniform Deformation Model, Uniform Stress Deformation Model and Uniform Deformation Energy Density Model. The average particle size, strain and stress from the three different models is found to be 9⋅73 nm, 1⋅35 × 10−3, 55⋅05 MPa along with calculated energy density value of 78⋅421 kJ m−3, respectively. Band gap calculations utilizing diffuse reflectance yielded an optical bandgap of 1⋅23 eV for the CFS thin film. The fabricated photodetector is studied for different illumination wavelengths, 450 nm, 520 nm, 570 nm, 620 nm and 940 nm, to determined device parameters. The optimum rise time, decay time, responsivity, and specific detectivity for wavelength of 520 nm are 6⋅43 s, 7⋅01 s, 0⋅0319 mA W−1 and 1⋅173 × 1010 Jones. The photoresponse of the fabricated device bended to 2⋅5− and 5−mm radii is studied to recognize suppleness. The photoresponse showed the photocurrent decreases with increase of bending. The observed traits under bending switched to initial on flattening the thin film.

Data-driven Approach to Explore the Contribution of Process Parameters for Laser Powder Bed Fusion of a Ti-6Al-4V Alloy

In order to predict the process window of laser powder bed fusion (LPBF) for printing metallic components, the calculation of volumetric energy density (VED) has been widely calculated for controlling process parameters. However, because it is assumed that the process parameters contribute equally to heat input, the VED still has limitation for predicting the process window of LPBF-processed materials. In this study, an explainable machine learning (xML) approach was adopted to predict and understand the contribution of each process parameter to defect evolution in Ti alloys in the LPBF process. Various ML models were trained, and the Shapley additive explanation method was adopted to quantify the importance of each process parameter. This study can offer effective guidelines for fine-tuning process parameters to fabricate high-quality products using LPBF.

Understanding the role of transition metal implantation on 2D graphitic carbon nitride for solid-state hydrogen storage: A first principles study

Modifying 2D materials with transition metals (TMs) proves to be an effective approach for enhancing their properties in hydrogen storage. In this article, the hydrogen interaction and adsorption over transition metal (TM) atoms (V, Mn, Fe, and Cu) implanted graphitic carbon nitride (gC3N4) is investigated using density functional theory (DFT). The stability of the TM atom on the gC3N4 surface is studied using binding energy and charge density calculations. The adsorption of H2 on the gC3N4 and TM-implanted gC3N4 surfaces is studied using adsorption energy, density of states (DOS), projected density of states (PDOS), charge density difference, and Lowdin occupancy analysis. The obtained results show that the Fe-gC3N4 system exhibits the highest adsorption energy of −1.025 eV for one H2. It is found that each Fe atom implanted on gC3N4 can stably adsorb up to 8H2 molecules, and the average adsorption energy of the 8H2 molecules is −0.201 eV/H2. In the context of practical applications for these materials, desorption is investigated employing the van't Hoff equation. Our findings affirm that the Fe-gC3N4 system can serve as an efficient material for solid-state hydrogen storage.

A review of energy efficiency and Machine learning analysis for additive manufacturing of direct laser metal deposition

Additive Manufacturing (AM) is an innovative industrial process that utilizes layering of materials to create unique products with an unprecedented level of flexibility. To maximize the benefits of AM, it is crucial to understand the precise utilization of laser energy. This review provides a concise overview of the Directed Laser Metal Deposition (DLMD) process, which includes an analysis of input parameters and the effective use of laser power, along with the impact of laser synchronous preheating processes. Various input parameters such as travel speed, hatch spacing, powder feed rate, and the standard of distance influence the calculation of volumetric energy density (VED). VED is important for Clad bed geometry, including dilution (D), height (H), width (W) of AM wall, and clad bead stability (ΔH). In the field of manufacturing, Machine Learning (ML) is a commonly used subset of Artificial Intelligence (AI) to improve the quality of processes, expedite production, and reduce costs. Specifically, in Metal Additive Manufacturing (MAM), ML techniques are leveraged to optimize various process parameters, resulting in the production of high-quality, defect-free products. This review provides a detailed explanation of the step-by-step implementation process of ML and its classification within a fundamental structure.

Microstructural changes in thermochemical heat storage material over cycles: Insights from micro-X-ray computed tomography

This paper studies the effect of successive (de)hydration cycles on the structure of potassium carbonate K2CO3·1.5H2O grains for low-temperature heat storage applications. Such structural changes are caused by exposure of the salt to water vapor or removal of water from it, accompanied by successive swelling and shrinkage. Understanding the material's internal structure is key to predicting its behaviour and optimizing its design. However, due to the simultaneous and persistent occurrence of structural changes and transport mechanisms throughout the process, gaining a complete understanding of the phenomenon can be challenging.Unlike conventional experimental approaches and two-dimensional imaging techniques used for porosity assessment, our study showcases the qualitative and quantitative alterations in the porosity and microstructure of potassium carbonate. This analysis is achieved by using Micro-X-ray computed tomography (Micro-CT). The study focuses on the impact of cycling on grain microstructure, investigating pore volume distribution, radial variation of pore sizes, and density of individual grains. It was noted that the porosity increased from 6.4 % to 19.7 % after seven cycles. Initially, we observed a greater number of pores in the core of the uncycled salt grain. However, after cycling, we noticed a more even distribution, with a higher number of pores in the outer region of the grain, which caused a radial change in porosity. Lastly, this research provides the intrinsic and apparent densities of both non-cycled and cycled potassium carbonate specimens.Micro-CT is a good tool for a better understanding of changes in thermochemical material at a structural level. Calculation of porosity provided a pathway to calculate apparent and intrinsic density. The demonstrated method can be used for a wide range of salt hydrates, enhancing the scope and applicability of this study in the field of low-temperature heat storage applications. Additionally, it gives the measuring parameter needed to calculate energy density and change in volume during the reaction.

Fast access of the lattice thermal conductivity and phonon quasiparticle spectra of Mo2TiC2T2 (T = -O and -F) and Janus Mo2TiC2OF MXenes from machine learning potentials.

The presence of strong anharmonic effects in surface functionalized MXenes greatly challenges the use of harmonic lattice dynamics calculations to predict their phonon spectra and lattice thermal conductivity at finite temperatures. Herein, we demonstrate the workflow for training and validating machine learning potentials in terms of moment tensor potential (MTP) for MXenes including Mo2TiC2, Mo2TiC2O2, Mo2TiC2F2 and Janus-Mo2TiC2OF monolayers. Then, the MTPs of MXenes are successfully combined with the harmonic lattice dynamics calculations to obtain the temperature renormalized phonon spectra, three-phonon scattering rates, phonon relaxation times and lattice thermal conductivity at finite temperatures. Furthermore, combining MTPs with classic molecular dynamics simulations at finite temperatures directly enables the calculation of phonon quasi-particle spectral energy density with a full inclusion of all anharmonic effects in MXenes. Our current results indicate that anharmonic effects are found to be relatively weak in Mo2TiC2 and Mo2TiC2O2 monolayers, whereas the phonon quasi-particle spectral energy densities largely resemble those of harmonic or renormalized lattice dynamics calculations. Significant broadening of spectral energy density at finite temperature is predicted for Mo2TiC2F2 and Janus-Mo2TiC2OF monolayers, implying strong anharmonic effects in those MXenes. Our work paves a new way for fast and reliable calculation of the phonon scattering process and lattice thermal conductivity of MXenes within MTPs trained from first-principles molecular dynamics simulations in the future.

Tandem Carbon Hollow Spheres with Tailored Inner Structure as Sulfur Immobilization for Superior Lithium–Sulfur Batteries

AbstractThe construction of lithium–sulfur battery cathode materials while simultaneously achieving high areal sulfur‐loading, adequate sulfur utilization, efficient polysulfides inhibition, rapid ion diffusion, etc. remains a major challenge. Herein, an internal regulatory strategy to fabricate the unique walnut‐like yolk–shell carbon flower@carbon nanospheres is presented (WSYCS) as sulfur hosts. The internal carbon flower, suitable cavity, and external carbon layer effectively disperse the insulate sulfur, accommodate volumetric expansion, and confine polysulfides, thus improving the performance of lithium–sulfur batteries. The finite element simulation method also deduces the enhanced Li+ diffusion and lithium–sulfur reaction kinetics. More importantly, WSYCS2 is grafted onto carbon fiber (CF) by electro‐spinning method to form a tandem WSYCS2@CF 3D film as a sulfur host for the free‐standing electrode. The corresponding battery exhibits an extremely high areal capacity of 15.5 mAh cm−2 with a sulfur loading of 13.4 mg cm−2. Particularly, the flexible lithium–sulfur pouch cell delivers a high capacity of 8.1 mAh cm−2 and excellent capacity retention of 65% over 800 cycles at a relatively high rate of 1C, corresponding to a calculated energy density of 539 Wh kg−1 and 591 Wh L−1. This work not only provides guidance for tailoring thick carbon/sulfur electrodes but also boosts the development of practical lithium–sulfur batteries.

High-speed direct energy deposition as a high-throughput design tool for laser-based additive manufacturing

A wide range of additive manufacturing (AM) processing conditions can be rapidly realized within a single specimen via high-speed direct energy deposition laser based (DED-LB), due to a variety of cooling conditions and in-situ powder mixing. Since existing approaches are inefficient in exploring the vast material and process design space in AM, high-speed DED-LB can be employed as a novel technology for high-throughput alloy design tool. However, an evaluation of the process transferability of the high-speed DED-LB process with respect to the currently dominating metal AM technologies, namely laser powder bed fusion (PBF LB/M) and conventional DED-LB, is required. In this study, high-speed DED-LB is applied for the high-throughput sample production, using the nickel alloy IN718 as reference material as well as the AM processes PBF LB/M and DED-LB as reference processes. The resulting microstructures are characterized and compared using optical microscopy and large-area scanning electron microscopy (SEM) analysis combined with energy-dispersive X-ray spectroscopy (EDS). Furthermore, a model for calculation of the volumetric energy density is developed to compare the applied AM processes. The significant influence of the processing conditions on the solidification behavior of the investigated material allows for efficient exploration of the microstructure and phase composition. Specific high-speed DED-LB-process conditions achieved the average solidification cell size and laves phase content as observed in the PBF LB/M- and DED-LB -produced counterparts. The applicability of the high-speed DED-LB process for rapid alloy and process development, i.e., process transferability, is critically evaluated. The results show that high-speed DED-LB can be used to emulate cooling conditions of PBF-LB/M and DED-LB and, therefore, be used as tool for rapid alloy development.

Electrical conduction behavior in ferroelectric polymer-based composites incorporating metal halide perovskite

Halide perovskites have established their intriguing performances in optoelectronics and been expanded to energy harvesting application when incorporated into polymers due to their polarization related properties. Yet, fundamental understanding of the electrical conduction behavior of such composites has seldomly been addressed. Herein, composite films employing CH3NH3PbBr3 (MAPB) nanoparticles and ferroelectric polymer poly(vinylidenefluoride-co-trifluoroethylene) [P(VDF-TrFE)] have been investigated upon their conduction behaviors. Both electric field and temperature-dependent currents have been thoroughly analyzed based on hopping and space charge-limited current mechanisms in combination with trap energy and trap density calculation from thermal stimulated depolarization currents. The conduction mechanism of MAPB/P(VDF-TrFE) composite has been established within the frame of band diagram. Our studies, thus, are essential for developing high-performance optoelectronics and energy harvesters based on halide perovskites/polymer composites.

A novel hybrid electrode materials for supercapacitors based on polyelectrolyte chitosan complex

In this work, hybrid materials based on polyelectrolyte complexes of chitosan with cobalt and nickel oxycompounds on the stainless steel surface were obtained using the non-stationary electrolysis method. Morphology, structure and elemental composition of the hybrid materials were studied. The X-ray phase analysis method allowed us to find that the main phase of the obtained hybrid materials is cobalt hydroxyisocyanate Co(OCN)0.6(OH)1.4(H2O)0.6. The electrochemical characteristics of the hybrid materials obtained were studied by cyclic voltammetry (CV) and galvanostatic charge-discharge (GCD) in an alkaline electrolyte. The specific capacitance was 479 F∙g−1 at the current density of 1 A∙g−1. The calculated energy density and power density of the cell was 0.055 W∙h∙kg−1 and 116 W∙kg−1, respectively. The results of long-term cycling allow us to conclude that the hybrid material is characterized by sufficient stability with capacity retention up to 85% after 5000 cycles.

Harvesting Energy from Changes in Relative Humidity Using Nanoscale Water Capillary Bridges.

We show that nanoscale water capillary bridges (WCB) formed between patchy surfaces can extract energy from the environment when subjected to changes in relative humidity (RH). Our results are based on molecular dynamics simulations combined with a modified version of the Laplace-Kelvin equation, which is validated using the nanoscale WCB. The calculated energy density harvested by the nanoscale WCB is relevant, ≈1700 kJ/m3, and is comparable to the energy densities harvested using available water-responsive materials that expand and contract due to changes in RH.

Using head, pectoral girdle bones and otoliths to estimate length and weight of Argentine anchovy (Engraulis anchoita), a key species in Patagonian marine ecosystem

The Argentine anchovy, Engraulis anchoita, plays a vital role as a key prey species for several marine predators in the north Patagonian marine ecosystem of the Atlantic Ocean. Reconstructing the length and weight of each consumed specimen is essential to provide a detailed description of the trophic ecology of top marine predators. Predictive linear regression equations were calculated for the Patagonian stock of Argentine anchovy to estimate parameters of length-weight relationships using measurements of whole individuals and diagnostic elements such as otoliths, head bones and pectoral fin bones. Among the diagnostic elements analyzed, the cleithrum and dentary exhibited the best fit. This study validates the use of head and pectoral girdle bones as reliable indicators for predicting the weight and length of Argentine anchovy across a wide size range, which corresponds to the target range of various predators. These relationships can contribute to the determination of body condition, estimation of consumed biomass, and calculation of energy density, providing valuable insights into the trophic ecology of predators in the southern Atlantic Ocean.

Probing the catalytic activity of first-row transition metal doped C20 fullerene as remarkable HER electrocatalysts: A DFT study

Hydrogen evolution reaction (HER) has captivated the interest of researchers due to ever increasing demand for future sources of energy. With the advancement in renewable energy resources, electrocatalytic production of hydrogen has been considered as the most suitable way for hydrogen production for fuel cells and combustion engines. Herein, we studied HER activity of transition metal doped C20 fullerene (M@C20) by means of adsorption energy, Gibbs free energy and electronic density calculations. Ni@C20 and Cu@C20 complexes provide the best HER activity with Gibbs free energy of −0.09 eV for each. Furthermore, electronic properties such as the density of states (DOS) and frontier molecular orbital analyses are performed which indicate that transition metal doping significantly alters the electronic properties of studied M@C20 complexes. Whereas the adsorption of hydrogen does not affect the electronic parameters much. The basic understanding of hydrogen adsorption mechanism together with analyses of electronic parameters is crucial for the synthesis of highly efficient electrocatalysts for hydrogen energy applications. The critical findings of this study declares that both Ni@C20 and Cu@C20 complexes can act as promising electrocatalysts for hydrogen evolution reaction with low overpotential.

Possibilities of valorization of Gnetum spp leaves in modern gastronomy: Production and characterization of new vegetable tarts and salads

Gnetum spp is a green creeper plant abundantly found in the Central African forests. Their leaves are eaten as vegetable by inhabitants. In order to valorize this vegetable in modern gastronomy, a survey was carried out in three towns of Cameroon to evaluate its importance in the feeding habits. The leaves were also sliced in two different forms, precooked, spin-dried and used for Gnetum tarts and salads production. 50, 100 and 150 g of thin sliced precooked leaves were used to prepare three salads and three tarts, keeping the other ingredients constant. Three additional tarts were prepared similarly using thinnest sliced precooked leaves. The final products were analyzed in terms of physiochemical, nutritional and sensorial properties. More than 96.9% of people investigated eat Gnetum leafy vegetables at least once per month. The survey study indicates that the transformation of Gnetum is mostly done by people within the age of 20 to 40 years old. Results of the physicochemical analyses showed that the total protein, lipid and carbohydrate contents increased in general with the increasing of the Gnetum leaf quantities used for preparation. The crude fiber contents of salads and tarts ranged from 52.00 ± 0.68 to 62.66 ± 1.26 and 29.33 ± 0.67 to 33.66 ± 0.47 g/100 g DW respectively. They were positively correlated with the quantity of Gnetum leaves used. The total phenolic contents, also increased significantly (p < 0.05) with the quantity of Gnetum leaves, from 182.45 ± 1.69 to 493.52 ± 2.10 mg/100 g DW for the salad and from 86.69 ± 4.08 to 283.21 ± 6.79 mg/100 g DW for the tart. The calculated energy density of tarts and salads permitted to classify these food products as low and high energy density foods respectively. The nutritional densities of produced tarts oscillated from 0.27 to 0.3 and that of salads from 0.58 to 0.71. With their nutritional values and the significant amount of fibers, Gnetum tarts and salads could be good new recipes to valorize the Gnetum leafy vegetables.

Integrated Structures of Silicon/CNTs/Graphite Composite as an Advanced Li‐Metal‐Free Anode for Li‐Sulfur Batteries

AbstractSilicon (Si) is considered an alternative anode material for Li‐S batteries considering its high theoretical capacity of 3590 mAh g−1 at room temperature, and advantageous to avoid unfavorable Li metal anode, which forms dendrites during the cell charging and discharging process causes short circuits. Here in this study, we have prepared a nanocomposite anode comprising Si nanoparticles, multi‐walled carbon nanotubes (MCNTs), and graphite (G) by low‐temperature annealing approach and studied their electrochemical characteristics by combining with sulfur cathodes into Si‐S full cells in ether‐based liquid electrolytes. The prepared Si‐S battery system exhibits stable electrochemical properties with long cycle life. The fabricated full cell delivered specific capacities of 328 mAh g−1 at 0.1 C, and 243 mAh g−1 at 0.5 C, with calculated energy densities of 542 and 473 Wh kg−1, respectively, without any cell failure. These results indicate that the integration of Si, MCNTs, and G is a promising approach to avoiding Li‐metal anodes and achieving high and stable capacities for Li‐S batteries.

Engineering the Electronic and Thermal Properties of Two-Dimensional Covalent Organic Frameworks

Two-dimensional covalent organic frameworks (2D COFs) are a class of modular polymeric crystals with high porosities and large surface areas. Their tunable microstructure (with a wide array of choices for the molecular building block) provides the opportunity for their bottom-up design and potentially tailorable physical properties. In this work, through combined density functional theory (DFT) calculations and molecular dynamics (MD) simulations, we study the influence of different molecular functional groups and varying porosities on the electronic and thermal properties of 2D COFs. More specifically, by performing DFT calculations on 24 different 2D COFs, we demonstrate that one of the main descriptors dictating their band gaps are their mass densities or network porosities. Furthermore, we also find that specific functional groups forming the nodes can lead to larger localization of charge densities resulting in wider band gaps. By performing MD simulations to investigate their thermal properties, we show that (similar to their electronic properties) mass density is also one of the main factors dictating heat conduction, where higher densities are associated with relatively higher thermal conductivities along the 2D sheets. Our spectral energy density calculations provide insights into the highly anharmonic nature of these materials. We find that increasing porosities lead to larger anharmonic interactions and thus reduced thermal conductivities in these materials. Similar to their electronic band gaps, the nodes forming the 2D COFs also have a significant contribution in dictating their thermal conductivities with bigger nodes (accompanied by higher densities) generally resulting in relatively higher thermal conductivities in 2D COFs. Taken together, the resulting changes in the electronic and thermal properties from variations in the building blocks in 2D COFs lend insights into fundamental changes in the microscopic thermodynamics that arise from systematically changing their molecular structure. Therefore, our study provides a blueprint for the strategic syntheses of 2D COFs with “user-defined” electronic and thermal properties that will ultimately aide in their incorporation into various applications.