arXiv subjects

Xueliang Sun

Publications and source records attributed to Xueliang Sun.

3 recordsLinked to original sources

arXiv2026

Coupling Lattice Distortion and Cation Disorder to Control Li-ion Transport in Cation-Disordered Rocksalt Oxides

Cation-disordered solids offer a rich chemical landscape where local coordination, lattice responses, and configurational disorder collectively, yet often implicitly, govern ion transport. In cation-disordered rocksalt oxides, Li+ diffusion has conventionally been rationalized by the static 0-transition-metal (0-TM) percolation rule, which assumes an ideal, passive lattice and thus fails to capture experimentally accessible capacities. Here, we show that lattice distortion is an essential, previously overlooked degree of freedom that actively reshapes Li+ percolation networks. By developing a lattice-responsive framework combining Monte Carlo sampling of cation configurations with machine-learning-accelerated molecular dynamics, we quantitatively predict Li+ percolation and electrochemical capacities within 5% of experiment. Our results reveal a causal coupling between lattice distortion and cation short-range order: enhanced local distortions precede and suppress short-range ordering, activating Li+ migration through nominally inaccessible 1-TM channels, fundamentally extending percolation beyond the 0-TM paradigm. Guided by this, we design and synthesize a high-entropy oxide, Li1.2Mn0.2Ti0.2V0.2Mo0.2O2, which exhibits enhanced distortion and achieves a 71.9% Li+ percolation network, surpassing 65.8% in Li1.2Mn0.4Ti0.4O2, delivering 256.3 mAh/g capacity, closely matching our prediction of 255.1 mAh/g. These findings establish lattice distortion as an active control parameter for ion transport, revising percolation concepts and offering a general design principle beyond metal-ion cathodes.

cond-mat.mtrl-sci↗

arXiv2019

TDMR Detection System with Local Area Influence Probabilistic a Priori Detector

We propose a three-track detection system for two dimensional magnetic recording (TDMR) in which a local area influence probabilistic (LAIP) detector works with a trellis-based Bahl-Cocke-Jelinek-Raviv (BCJR) detector to remove intersymbol interference (ISI) and intertrack interference (ITI) among coded data bits as well as media noise due to magnetic grain-bit interactions. Two minimum mean-squared error (MMSE) linear equalizers with different response targets are employed before the LAIP and BCJR detectors. The LAIP detector considers local grain-bit interactions and passes coded bit log-likelihood ratios (LLRs) to the channel decoder, whose output LLRs serve as a priori information to the BCJR detector, which is followed by a second channel decoding pass. Simulation results under 1-shot decoding on a grain-flipping-probability (GFP) media model show that the proposed LAIP/BCJR detection system achieves density gains of 6.8% for center-track detection and 1.2% for three-track detection compared to a standard BCJR/1D-PDNP. The proposed system's BCJR detector bit error rates (BERs) are lower than those of a recently proposed two-track BCJR/2D-PDNP system by factors of (0.55, 0.08) for tracks 1 and 2 respectively.

eess.SP↗

arXiv2017

Tailoring of Grain Boundary Structure and Chemistry of Cathode Particles for Enhanced Cycle Stability of Lithium Ion Battery

The biggest challenge for the commercialization of layered structured nickel rich lithium transition metal oxide cathode is the capacity and voltage fading. Resolving this problem over the years follows an incremental progress. In this work, we report our finding of totally a new approach to revolutionize the cycle stability of aggregated cathode particles for lithium ion battery at both room and elevated temperatures. We discover that infusion of a solid electrolyte into the grain boundaries of the cathode secondary particles can dramatically enhance the capacity retention and voltage stability of the battery. We find that the solid electrolyte infused in the boundaries not only acts as a fast channel for Li ion transport, but also most importantly prevents penetration of the liquid electrolyte into the boundaries, consequently eliminating the detrimental factors that include solid-liquid interfacial reaction, intergranular cracking, and layer to spinel phase transformation. The present work, for the first time, reveals unprecedented insight as how the cathode behaves in the case of not contacting with the liquid electrolyte, ultimately points toward a general new route, via grain boundary engineering, for designing of better batteries of both solid-liquid and solid state systems.

cond-mat.mtrl-sci↗