Rational Synthesis of Iron Carbide Nanocatalysts for Fischer–Tropsch Synthesis: The Role of Carbon Chemical Potential

化学 纳米材料基催化剂 碳化物 相(物质) 化学稳定性 碳纤维 合理设计 动力学 粒子(生态学) 纳米颗粒 纳米技术 化学物理 纳米尺度 化学工程 化学动力学 化学转化 航程(航空) 多相催化 热力学 化学反应 化学过程 相变 相图 转化(遗传学) 碳纳米管 纳米结构 催化作用
作者
Zhenqiang Ma,Yi Cai,Yueyue Jiao,Xingwu Liu,Jinjia Liu,Wenping Guo,Xingchen Liu,Yongwang Li,Xiaodong Wen
出处
期刊:Journal of the American Chemical Society [American Chemical Society]
卷期号:147 (45): 41452-41461 被引量:9
标识
DOI:10.1021/jacs.5c11223
摘要

Understanding nanoparticle phase behavior under reactive conditions is critical for rational catalyst design in sustainable energy technologies. Yet, the phase transformations of multielement catalytic solids remain poorly understood, particularly when accompanied by compositional changes in reactive environments. Using iron carbide (Fe x C y ) as a model system, we investigate size-dependent phase stability and transformation kinetics across various chemical environments relevant to Fischer–Tropsch synthesis. By integrating nanoscale thermodynamics and kinetics into a unified theoretical framework, we construct comprehensive phase diagrams that explain the anomalous predominance of the χ -Fe 5 C 2 phase and the rarity of the Fe 7 C 3 phase─a longstanding puzzle in heterogeneous catalysis. Located at the intersection of all other phase stability regions across a broad range of carbon chemical potentials and particle sizes, χ -Fe 5 C 2 functions as a central hub, facilitating transitions among various iron carbide phases, and has relatively low formation kinetic barriers from neighboring phases. In contrast, Fe 7 C 3 is thermodynamically stable and kinetically favorable only within a very narrow range (approximately 0.03 eV) of carbon chemical potential at relatively large particle sizes. Our theoretical predictions, rigorously validated through precisely designed phase transformation experiments, reveal how nanoscale effects fundamentally govern phase selectivity and transformation pathways in iron carbides. This integrated approach provides mechanistic insights into the in situ formation and interconversion of catalytically active phases and establishes a general framework for predicting and manipulating phase behavior in complex multielement nanocatalysts for carbon-neutral fuel production and environmental applications.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
刚刚
1秒前
2秒前
bkagyin应助反杀闰土的猹采纳,获得10
2秒前
潇洒的惋清应助AamirAli采纳,获得10
3秒前
Hugo完成签到,获得积分20
3秒前
完美世界应助科研通管家采纳,获得10
5秒前
在水一方应助科研通管家采纳,获得10
6秒前
DAY1应助科研通管家采纳,获得10
6秒前
molihuakai应助科研通管家采纳,获得10
6秒前
领导范儿应助科研通管家采纳,获得10
6秒前
NexusExplorer应助科研通管家采纳,获得50
6秒前
Hello应助科研通管家采纳,获得10
6秒前
6秒前
无花果应助科研通管家采纳,获得10
6秒前
6秒前
DAY1应助科研通管家采纳,获得10
6秒前
科研通AI2S应助科研通管家采纳,获得10
7秒前
7秒前
无花果应助科研通管家采纳,获得10
7秒前
7秒前
7秒前
8秒前
9秒前
饱满的睿渊完成签到,获得积分20
11秒前
黎小静发布了新的文献求助10
12秒前
12秒前
13秒前
饶凯旋完成签到,获得积分10
14秒前
花川完成签到,获得积分10
14秒前
外向千亦发布了新的文献求助10
15秒前
香蕉觅云应助yyy采纳,获得10
15秒前
16秒前
华仔应助老迟到的若魔采纳,获得10
17秒前
斯文败类应助外向千亦采纳,获得10
18秒前
哇哇哇发布了新的文献求助10
18秒前
Ava应助饲料批发采纳,获得10
18秒前
moonlight发布了新的文献求助10
18秒前
NexusExplorer应助饱满的睿渊采纳,获得10
19秒前
麻辣香郭发布了新的文献求助10
19秒前
高分求助中
Principles of Economics, 11th Edition 10000
University Physics with Modern Physics, 16th edition 10000
(应助此贴封号)【重要!!请各用户(尤其是新用户)详细阅读】【科研通的精品贴汇总】 10000
Development of a Bridge Weigh-In-Motion System: A technology to convert the bridge response to the passage of traffic into data on vehicle configurations, speeds, times of travel and weights 1000
Molecular Mechanisms of Photosynthesis, 4th Edition 1000
Organic Reactions, Volume 116 1000
Current concepts in cutaneous toxicity : proceedings of the Fourth Conference on Cutaneous Toxicity, Washington, D.C., May 9-11, 1979 1000
热门求助领域 (近24小时)
化学 材料科学 医学 生物 纳米技术 工程类 有机化学 化学工程 生物化学 计算机科学 内科学 物理 复合材料 催化作用 细胞生物学 无机化学 光电子学 物理化学 电极 基因
热门帖子
关注 科研通微信公众号,转发送积分 7261894
求助须知:如何正确求助?哪些是违规求助? 8883366
关于积分的说明 18773232
捐赠科研通 6941193
什么是DOI,文献DOI怎么找? 3202326
关于科研通互助平台的介绍 2375639
邀请新用户注册赠送积分活动 2178062