Electronic structure modulations and capacitive energy storage performances of molybdenum nitride electrode materials

LI Tao; LIAO Yuntian; SONG Hao; WANG Liheng; HUO Kaifu

doi:10.19799/j.cnki.2095-4239.2026.0242

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Electronic structure modulations and capacitive energy storage performances of molybdenum nitride electrode materials

Special Issue of Key Materials and Devices of Supercapacitors | 更新时间：2026-07-01

- Electronic structure modulations and capacitive energy storage performances of molybdenum nitride electrode materials
- Energy Storage Science and Technology Vol. 15, Issue 5, Pages: 1732-1747(2026)
- 作者机构：
  
  1.华中科技大学武汉光电国家研究中心，湖北武汉 430074
  2.武汉科技大学冶金与能源学院，先进材料与纳米技术研究院，湖北武汉 430081
- 作者简介：
- 基金信息：
- DOI：10.19799/j.cnki.2095-4239.2026.0242
  CLC： TB 34
- Received：27 March 2026，
  
  Revised：2026-04-23，
  
  Published：28 May 2026
- 稿件说明：
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李涛, 廖云天, 宋豪, 等. 氮化钼电极材料的电子结构调控与电容储能性能研究[J]. 储能科学与技术, 2026, 15(5): 1732-1747.

LI Tao, LIAO Yuntian, SONG Hao, et al. Electronic structure modulations and capacitive energy storage performances of molybdenum nitride electrode materials[J]. Energy Storage Science and Technology, 2026, 15(5): 1732-1747.
李涛, 廖云天, 宋豪, 等. 氮化钼电极材料的电子结构调控与电容储能性能研究[J]. 储能科学与技术, 2026, 15(5): 1732-1747. DOI： 10.19799/j.cnki.2095-4239.2026.0242.

LI Tao, LIAO Yuntian, SONG Hao, et al. Electronic structure modulations and capacitive energy storage performances of molybdenum nitride electrode materials[J]. Energy Storage Science and Technology, 2026, 15(5): 1732-1747. DOI： 10.19799/j.cnki.2095-4239.2026.0242.

摘要

氮化钼（Mo

）具有丰富的晶格结构、类金属导电性及高赝电容，是一类新型赝电容材料，在高性能超级电容器领域展现出广阔的应用前景。本文以“晶型/组成-电子结构-储能机制-电容性能”为主线，系统综述了Mo

电子结构、储能机制以及电极材料电容性能的研究进展。首先分析了Mo

独特的“共价-金属-离子”三键合电子杂化体系，研究了从立方相γ-Mo

N、四方相β-Mo

N到六方相δ-MoN以及富氮相Mo

、MoN

的结构演变规律，揭示了氮原子占位对晶格对称性、电子态密度及离子传输性能的调控机制。在此基础上，阐明了晶体结构、化学计量比与维度效应

对材料电子结构和电容性能的调控机理。进一步论述了Mo

表面氧化还原与体相离子嵌入协同作用的赝电容储能机制，总结了从电子结构层面优化电化学性能的策略进展，包括原子掺杂、异质界面工程、高熵氮化物设计等，并展望了Mo

电极材料的发展，旨在为下一代高能量/高功率密度储能器件的电极材料研究提供指导。

Abstract

Molybdenum nitrides (Mo

)

which feature diverse crystal structures

metallic-like conductivity

and high pseudocapacitance

have emerged as a new class of pseudocapacitive materials with broad application potential in high-performance supercapacitors. This review is organized around the central framework of their "polymorph/composition-electronic structure-energy storage mechanism-capacitive performance" and systematically summarizes recent advances in the electronic structure

charge-storage mechanisms

and capacitive behavior of Mo

-based electrode materials. First

the unique "covalent-metallic-ionic" hybrid bonding nature of Mo

is analyzed. The structural evolution from cubic γ-Mo

N and tetragonal β-Mo

N to hexagonal δ-MoN

as well as nitrogen-rich phases such as Mo

and MoN

is examined

revealing the role of nitrogen site occupancy in regulating lattice symmetry

the electronic density of states

and ion transport properties. On this basis

this review further elucidates the mechanisms through which crystal structure

stoichiometric composition

and dimensionality govern the electronic structure and capacitive performance of these materials. In addition

the pseudocapacitive charge-storage mechanism arising from the synergistic interplay between surface redox reactions and bulk ion intercalation in Mo

is discussed in detail. Recent progress in strategies to optimize electrochemical performa

nce from the perspective of electronic structure engineering is also summarized

including atomic doping

heterointerface engineering

and high-entropy nitride design. Finally

future directions for the development of Mo

electrode materials are outlined

with the aim of guiding the design of next-generation energy storage devices that combine high energy density with high power density.

关键词

Keywords

references

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