“…A more negative enthalpy of formation indicates greater thermodynamic favorability towards forming the geometry in question. 21,22 DH f was calculated for all cross-linked (XL) geometries and the non-cross-linked (3D) system following eqn ( 1) and ( 2), respectively. Although COF-Quin is a 2D-COF, the short-hand notation 3D has been assigned for stacked, noncross-linked COF-Quin.…”
Section: Thermodynamic Feasibility and Structural Stabilitymentioning
confidence: 99%
“…The greater the cohesive energy, the more energy that is required to break the material and, therefore, the more stable the material. [21][22][23][24][25] The cohesive energy for the 3D system can be calculated following the same nomenclature used in eqn (2), however the reference state energy is replaced by the elements gaseous phase atomic energy (E i,atomic ). This was calculated by isolating an atom of type i in a 20 Å Â 20 Å Â 20 Å box and optimizing to determine the total energy.…”
Section: Thermodynamic Feasibility and Structural Stabilitymentioning
A quinoxaline-based covalent organic framework (COF) was synthetically cross-linked and investigated for membrane applications. Ab initio calculations were conducted to investigate the stability of cross-linked COFs.
“…A more negative enthalpy of formation indicates greater thermodynamic favorability towards forming the geometry in question. 21,22 DH f was calculated for all cross-linked (XL) geometries and the non-cross-linked (3D) system following eqn ( 1) and ( 2), respectively. Although COF-Quin is a 2D-COF, the short-hand notation 3D has been assigned for stacked, noncross-linked COF-Quin.…”
Section: Thermodynamic Feasibility and Structural Stabilitymentioning
confidence: 99%
“…The greater the cohesive energy, the more energy that is required to break the material and, therefore, the more stable the material. [21][22][23][24][25] The cohesive energy for the 3D system can be calculated following the same nomenclature used in eqn (2), however the reference state energy is replaced by the elements gaseous phase atomic energy (E i,atomic ). This was calculated by isolating an atom of type i in a 20 Å Â 20 Å Â 20 Å box and optimizing to determine the total energy.…”
Section: Thermodynamic Feasibility and Structural Stabilitymentioning
A quinoxaline-based covalent organic framework (COF) was synthetically cross-linked and investigated for membrane applications. Ab initio calculations were conducted to investigate the stability of cross-linked COFs.
“…[15][16][17] Using the phase transition property of VO 2 , many studies have achieved variable emission. [18][19][20][21][22][23][24][25][26][27] In the infrared (IR) region, VO 2 behaves as a metallic state with high reflection at high temperatures (T 4 T c ), while it behaves as an insulating state with high transmission at low temperatures (T o T c ). However, spacecraft thermal control devices require high-temperature high emission and lowtemperature low emission.…”
Effective spacecraft thermal control technologies are essential to avoid undesirable effects caused by extreme thermal conditions. In this paper, we demonstrate a transparent smart radiation device (TSRD) based on vanadium...
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