Exploring the State Space Structure of Multiple Spins via Modular Tensor Diagram Approach: Going beyond the Exciton Pair State.

Fully understanding of multistate quantum systems could become formidable if not impossible as the system dimensionality increases. One ideal strategy to comprehend complex systems is to transform the system representation into a more structural one so that major characteristics, connections, and even underlying mechanisms can stand out from the huge unstructured information, e.g., the construction of spin eigenfunctions for a system of multiple spins through the diagonalization of the system Hamiltonian matrix. Here, instead of direct matrix diagonalization, the recently developed modular tensor diagram approach is applied to reorganize the state space structure of multispin systems, extending previous investigations on exciton pair states to exciton trimer states. This implementation demonstrates that the proposed approach not only provides a systematical way to transform the high dimensional multistate system into a well organized structure based on basic (exciton) modules but also paves the way to further analysis on potential applications. For example, the analysis on the state space of the exciton trimer system suggests a possible scheme to improve the laser performance via single fission involving multiexcitations and/or multiple fission steps.

Modular Tensor Diagram Approach for the Construction of Spin Eigenfunctions: The Case Study of Exciton Pair States.

Mapping out the high-dimensional state space would be valuable for better understanding the multistate quantum systems. Here, we demonstrate that high-dimensional spin state space can be mapped onto a tensor diagram in full dimension or self-similarly onto the reduced base state space. Based on the tensor diagram, a modular approach is proposed to construct spin eigenfunctions taking the basis of the lower-dimensional space as modules. The implementation of the approach on exciton pair states results in 16 spin eigenstates including 2 singlet states, 3 triplet states, and 1 quintet state with proper symmetry, in contrast to the ones generated using the conventional branching diagram method. The corresponding state energies obtained show the order of spin eigenstates reverses with respect to spin multiplicity. Interestingly, the state space can be decomposed into three subspaces corresponding to the singlet-singlet pair, singlet-triplet pair, and triplet-triplet pair, resulting in a modular structure that is invariant as intermolecular interactions diminish. The proposed approach offers a new perspective on the state space structure of multiple spin states, featuring a hierarchical symmetry, which could be extended to general high-dimensional quantum multistate systems.

Electrolyte Solvation Manipulation Enables Unprecedented Room-Temperature Calcium-Metal Batteries.

Calcium-metal batteries (CMBs) provide a promising option for high-energy and cost-effective energy-storage technology beyond the current state-of-the-art lithium-ion batteries. Nevertheless, the development of room-temperature CMBs is significantly impeded by the poor reversibility and short lifespan of the calcium-metal anode. A solvation manipulation strategy is reported to improve the plating/stripping reversibility of calcium-metal anodes by enhancing the desolvation kinetics of calcium ions in the electrolyte. The introduction of lithium salt changes the electrolyte structure considerably by reducing coordination number of calcium ions in the first solvation shell. As a result, an unprecedented Coulombic efficiency of up to 99.1 % is achieved for galvanostatic plating/stripping of the calcium-metal anode, accompanied by a very stable long-term cycling performance over 200 cycles at room temperature. This work may open up new opportunities for development of practical CMBs.

Hydrogen-bonding and "π-π" interaction promoted solution-processable mixed matrix membranes for aromatic amines detection.

Detection of hazardous compounds can alleviate risk to human health. However, it remains a challenge to develop easy-to-use testing tools for carcinogenic aromatic amines. Herein, we presented a conjugated molecule-based aniline detector, mixed matrix membranes (MMMs), through the solution-processable strategy. The pentacene-based dispersed phase is achieved using the state-of-the-art ionic liquids (ILs) as the continuous phase, based on which MMMs are easily manufactured by a solution process. Moreover, molecular dynamics (MD) simulations and quantum mechanical calculations suggested that hydrogen bonding and π-π interaction between ILs cations and pentacene could promote the dissolution. These prepared MMMs can offer easy-operation and on-site detection of carcinogenic primary aromatic amines with eye-readable fluorescence signal. This work provides a paradigm for the design of a portable testing device for various hazardous compounds.