Article(id=1320107559940379324, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1320107530261479891, articleNumber=null, orderNo=null, doi=10.14062/j.issn.0454-5648.20260157, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1773676800000, receivedDateStr=2026-03-17, revisedDate=1775491200000, revisedDateStr=2026-04-07, acceptedDate=null, acceptedDateStr=null, onlineDate=1792667768701, onlineDateStr=2026-10-22, pubDate=1780329600000, pubDateStr=2026-06-02, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1792667768701, onlineIssueDateStr=2026-10-22, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1792667768701, creator=13701087609, updateTime=1792667768701, updator=13701087609, issue=Issue{id=1320107530261479891, tenantId=1146029695717560320, journalId=1263187385517883426, year='2026', volume='54', issue='7', pageStart='2171', pageEnd='2576', issueExtLink='null', onlineDate='null', pubDate='1784476800000', pubDateStr='2026-07-20', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1792667761625, creator='13701087609', updateTime=1792720444956, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1320328500238725499, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1320107530261479891, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1320328500238725500, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1320107530261479891, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=2260, endPage=2271, ext={EN=ArticleExt(id=1320107560175260349, articleId=1320107559940379324, tenantId=1146029695717560320, journalId=1263187385517883426, language=EN, title=Atomic-Level Ordered Catalytic Materials: For Nitrate Reduction and Device Integration, columnId=1263922772401635899, journalTitle=Journal of the Chinese Ceramic Society, columnName=Review, runingTitle=null, highlight=null, articleAbstract=
Electrocatalytic nitrate reduction (NO3RR) emerges as a promising strategy for simultaneously addressing nitrogen pollution and enabling renewable energy conversion, thereby underpinning the emerging concept of an electrochemical nitrogen cycle. As a fundamental biogeochemical process, the nitrogen cycle is profoundly perturbed by anthropogenic activities, particularly excessive fertilizer application and fossil fuel combustion, resulting in the widespread accumulation of nitrate species in aquatic and terrestrial environments. This imbalance poses severe ecological and human health risks, rendering nitrate remediation on urgent global priority. Conventional nitrate removal technologies, including biological denitrification and physicochemical treatments, are extensively developed, but remain constrained by high energy consumption, stringent operating conditions, and the potential for secondary pollution. In contrast, NO3RR employs electrons as clean reducing agents and water as a proton source to drive nitrate conversion under mild conditions, enabling seamless integration with a renewable electricity. Beyond pollutant removal, this process also facilitates the synthesis of value-added chemicals, such as ammonia, thereby offering a sustainable route for energy storage and chemical production. Reflecting its strategic significance, the electrochemical nitrogen cycle is identified as a key emerging direction in modern chemistry.
Despite rapid progress, the NO3RR field remains fragmented and lacks a unifying framework. This challenge primarily stems from the intrinsic complexity of NO3RR as a multistep proton-coupled electron transfer process involving numerous nitrogen-containing intermediates, leading to convoluted reaction pathways and ambiguous rate-determining steps. In addition, competing reactions such as hydrogen evolution also complicate the evaluation of catalytic selectivity. The existing studies are organized according to material categories, where catalytic performance typically originates from multi-site synergistic effects. Although such systems can deliver a high activity, they obscure the identification of true active centers and impede the establishment of clear relationships among structure, adsorption behavior, and catalytic performance, thereby limiting mechanistic insight and cross-study comparability. This lack of structural clarity also hinders the development of generalizable descriptors capable of linking electronic structure to reaction energetics. To overcome these limitations, increasing attention is directed toward atomically ordered catalysts as an emerging research paradigm. These systems allow for the construction of structurally well-defined and identifiable active centers via enabling precise control over atomic species, spatial distribution, and coordination environments. Such an atomic-level determinacy facilitates direct correlations among electronic structure, adsorption energetics, and reaction pathways, providing a foundation for descriptor-based understanding of catalytic behavior. In this context, representative systems, including single-atom alloys, intermetallic compounds, demonstrate an enhanced catalytic performance and an improved mechanistic clarity relative to conventional materials. Moreover, these model systems offer opportunities to examine the validity and limitations of scaling relationships and to explore strategies for breaking conventional activity and selectivity constraints.
This review proposes a unified classification framework for atomically ordered NO3RR catalysts based on three key dimensions, i.e., active site scale, local bonding and coordination environment, and atomic arrangement order. This multidimensional perspective enables a systematic comparison across diverse catalyst systems and supports the extraction of fundamental design principles. Furthermore, recent progress on rational catalyst design, descriptor development, and device-level integration is summarized, with an emphasis on bridging the gap between fundamental understanding and practical implementation. Collectively, this framework aims to provide a basis for the development of more predictive and transferable strategies in NO3RR catalyst design.
Summary and prospects In summary, atomically ordered catalysts represent a transformative platform for advancing NO3RR from empirically driven material exploration toward mechanism oriented and structure defined catalyst design. This approach enables more rigorous elucidation of relationships between structure and catalytic performance via establishing well defined and identifiable active centers, thereby enhancing the reproducibility, comparability, and transferability of catalytic insights. More importantly, such systems provide an opportunity to bridge fundamental descriptors, adsorption energetics, and reaction pathways, offering a unified basis for rational catalyst design. Despite these advances, several critical challenges remain. In particular, the dynamic evolution of active sites under realistic electrochemical conditions, including surface reconstruction and adsorbate induced structural changes, remains insufficiently understood. In addition, the intrinsic complexity of multi-intermediate reaction networks poses significant challenges for identifying reliable descriptors and key elementary steps. The persistent gap between model catalysts and practical systems, especially in terms of long-term stability, mass transport, and operating current density, further limits the translation of fundamental insights into real world applications. Addressing these challenges will require the integration of precise atomic level design with advanced operando characterization techniques and data driven methodologies, enabling the capture of dynamic catalytic processes and the accelerated discovery of excellent materials. The convergence of atomic scale structural engineering, mechanistic understanding, and system level optimization is expected to play a pivotal role in enabling efficient, selective, and scalable NO3RR technologies, ultimately contributing to the realization of a sustainable electrochemical nitrogen cycle.
, authors=Yuting CONG, Lin GU, Ziyang WU, Hui WANG, Jianping YANG, authorsList=Yuting CONG, Lin GU, Ziyang WU, Hui WANG, Jianping YANG, authorCompany=null, correspAuthors=Jianping YANG, authorNote=
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电催化硝酸盐还原（NO3RR）为全球氮污染治理与可再生能源转化提供了重要路径，并推动“电化学氮循环”成为前沿研究方向。然而，当前NO3RR体系多以“材料类别”进行分类与讨论，其反应性能通常源于多位点协同作用，导致活性或选择性难以归因于明确结构单元，从而增加了机理解析难度并限制结论的可比性与迁移性。原子级序构将研究重心从宏观与介观尺度转移至原子尺度，通过精确调控原子种类、位置、配位环境等，实现活性中心的可识别、有序、可设计，为NO3RR提供了统一且可计算的语言，系统建立了结构-机理-性能的关系。本文从原子活性位点尺度、局域键合与配位环境以及原子排列有序度三个维度构建统一分类框架，总结原子级序构催化剂的理性设计策略及其在器件集成中的应用探索，为高性能NO3RR催化剂的定向设计和工程应用实践提供理论参考。
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杨建平（1984—），男，博士，研究员。
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