Synergistically Inducing Ultrafast Ion Diffusion and Reversible Charge Transfer in Lithium Metal Batteries Using Bimetallic Molybdenum-Titanium MXenes
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초록

Metal batteries have captured significant attention for high-energy applications, owing to their superior theoretical energy densities. However, their practical viability is impeded by severe dendrite formation and poor cycling stability. To alleviate these issues, a 3D-structured bimetallic-Mo2Ti2C3T x based fiber electrode was fabricated in this study and analyzed experimentally and computationally. The bimetallic Mo-Ti composition of MXenes synergistically achieved low binding and formation energies with lithium. In particular, the minimal lattice mismatch between the deposited Li metal and the Mo2Ti2C3T x MXene anode substrate led to improved Li formation energy with respect to the MXene surface. Moreover, the synergy of the bimetallic Mo-Ti composition of the Mo2Ti2C3T x MXene fiber substrate helped to amplify ion diffusion and reversible charge transfer. Consequently, the bimetallic MXene electrode exhibited an impressive Coulombic efficiency (99.08%) even at a high current density (5 mA cm-2) and a fixed cutoff capacity of 1 mA h cm-2 with prolonged cycle life (650 cycles). This report highlights a promising advancement in addressing the critical challenges facing metal battery operation, thereby offering an approach to improving performance for high-energy applications.

키워드

lithium metal batterybimetallicMXenesMo<sub>2</sub>Ti<sub>2</sub>C<sub>3</sub>T<sub> <italic>x</italic> </sub>synergistic effectlattice mismatchINITIO MOLECULAR-DYNAMICSTOTAL-ENERGY CALCULATIONSTRANSITIONELECTROLYTEANODESHOST
제목
Synergistically Inducing Ultrafast Ion Diffusion and Reversible Charge Transfer in Lithium Metal Batteries Using Bimetallic Molybdenum-Titanium MXenes
저자
Narayanasamy, MugilanZaman, ShakirKim, Ji SeonJung, SungminNaqvi, Shabbir MadadHassan, TufailIqbal, AamirLee, Sang UckKoo, Chong Min
DOI
10.1021/acsnano.4c15493
발행일
2025-01
유형
Article
저널명
ACS Nano
19
1
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1689 ~ 1701