Twelve Principles for Green Energy Storage in Grid Applications.

The introduction of energy storage technologies to the grid could enable greater integration of renewables, improve system resilience and reliability, and offer cost effective alternatives to transmission and distribution upgrades. The integration of energy storage systems into the electrical grid can lead to different environmental outcomes based on the grid application, the existing generation mix, and the demand. Given this complexity, a framework is needed to systematically inform design and technology selection about the environmental impacts that emerge when considering energy storage options to improve sustainability performance of the grid. To achieve this, 12 fundamental principles specific to the design and grid application of energy storage systems are developed to inform policy makers, designers, and operators. The principles are grouped into three categories: (1) system integration for grid applications, (2) the maintenance and operation of energy storage, and (3) the design of energy storage systems. We illustrate the application of each principle through examples published in the academic literature, illustrative calculations, and a case study with an off-grid application of vanadium redox flow batteries (VRFBs). In addition, trade-offs that can emerge between principles are highlighted.

Vanadium complex of 2-(2'-Pyridyl)-4,5-dicyanoimidazole showing spermicidal and cytotoxic properties.

Two complexes having the formulas VO(DCIPy)2(H2O).1.5H2O and VO(DCIPy)2(H2O).2MeOH have been synthesized and characterized (DCIPy = 2-(2'-pyridyl)-4,5-dicyanoimidazolato). The methanol solvated species has been studied by X-ray diffraction, and single crystals form in the space group P2(1)/n. The hydrated species was studied by electron paramagnetic resonance spectroscopy in both the solid state and in a frozen solution, and the values of A( parallel) examined using the additivity relationship. The hydrated species was shown to exhibit both spermicidal and cytoxic properties.

Novel binding of beryllium to dicarboxyimidazole-based model compounds and polymers.

The ligand 4,5-dicarboxyimidazole (H(2)DCI) and its methyl derivative 1-methyl-4,5-dicarboxyimidazole (H(2)MDCI) have been shown to bind to Be(II) forming a zwitterionic species that has been structurally characterized. A new dicarboxyimidazole-based polymer has been prepared and its Be-binding properties have been studied using NMR ((1)H and (9)Be) and fluorescence spectroscopy; it represents a rare example of beryllium binding to a polymer. Models of the mononuclear and polymeric Be(II)-binding sites have been studied using density functional theory (DFT), and the (9)Be NMR chemical shifts of these model materials have been calculated for the purpose of direct comparison to experimentally observed values. Differences in the binding modes of the mononuclear and polymeric species are discussed.

4-cyanoimidazolate: a new pseudo-cyanide?

Because of its exobidentate nature, pK(a), and electronic properties, 4-cyanoimidazole has been examined as a ligand and as a pseudo-cyanide. The ligand reacts readily as an anion with both cobalt and nickel ions in solution to form coordination polymers. The magnetic susceptibility and thermal stability of these materials are reported. 4-Cyanoimidazolate forms a hexakis complex with nickel, to form the first observed hexakis imidazolate nickelate complex.

Computation of aromatic C3N4 networks and synthesis of the molecular precursor N(C3N3)3Cl6.

The successful synthesis and structural characterization of molecules that represent segments of extended solids is a valuable strategy for learning metric and stereochemical characteristics of those solids. This approach has been useful in cases in which the solids are particularly difficult to crystallize and thus their atomic connectivity and overall structures become difficult to deduce with X-ray diffraction techniques. One such class of materials is the covalently linked C(x)N(y) extended solids, where molecular analogues remain largely absent. In particular, structures of C(3)N(4) solids are controversial. This report illustrates the utility of a simple molecule, N(C(3)N(3))(3)Cl(6), in answering the question of whether triazine based C(3)N(4) phases are layered or instead they adopt 3D structures. Here, we present density functional calculations that clearly demonstrate the lower stability of graphitic C(3)N(4) relative to 3D analogues.

Synthesis, Characterization, and Thermolysis of C(15)N(12).

Synthesis of 1-methyl-2-fluoro-4,5-dicyanoimidazole was done by halogen exchange between 1-methyl-2-bromo-4,5-dicyanoimidazole and potassium fluoride. Halogen exchange between 1-methyl-2-bromo-4,5-dicyanoimidazole and lithium chloride in N-methylpyrrolidinone at 150 degrees C yielded 1-methyl-2-chloro-4,5-dicyanoimidazole, and additional heating to 210 degrees C resulted in the demethylation to yield 2-chloro-4,5-dicyanoimidazole. Thermolyses of the 2-halo-4,5-dicyanoimidazole derivatives (F, Cl) and 1-iodo-2-halo-4,5-dicyanoimidazole derivatives (Cl, Br, I) between 100 and 290 degrees C were found to yield Tris(imidazo)[1,2-a:1,2-c:1,2-e]-1,3,5-triazine-2,3,5,6,8,9-hexacarbonitrile, or HTT, with (C(5)N(4))(3) composition. HTT has been characterized and purified and the crystal structure obtained. Thermolysis of HTT at 490-500 degrees C gives a material with C/N = 1.020. The thermal properties of HTT and its decomposition products show thermal stability to 350 degrees C.