亲爱的研友该休息了!由于当前在线用户较少,发布求助请尽量完整地填写文献信息,科研通机器人24小时在线,伴您度过漫漫科研夜!身体可是革命的本钱,早点休息,好梦!

Ethane Dehydrogenation over the Core–Shell Pt-Based Alloy Catalysts: Driven by Engineering the Shell Composition and Thickness

脱氢 催化作用 材料科学 焦炭 选择性 化学工程 合金 多相催化 吸附 化学 冶金 物理化学 有机化学 工程类
作者
Yuan Zhang,Baojun Wang,Maohong Fan,Lixia Ling,Riguang Zhang
出处
期刊:ACS Applied Materials & Interfaces [American Chemical Society]
卷期号:15 (8): 10679-10695 被引量:8
标识
DOI:10.1021/acsami.2c21249
摘要

Pt-based catalysts as the commercial catalysts in ethane dehydrogenation (EDH) face one of the main challenges of realizing the balance between coke formation and catalytic activity. In this work, a strategy to drive the catalytic performance of EDH on Pt–Sn alloy catalysts is proposed by rationally engineering the shell surface structure and thickness of core–shell Pt@Pt3Sn and Pt3Sn@Pt catalysts from a theoretical perspective. Eight types of Pt@Pt3Sn and Pt3Sn@Pt catalysts with different Pt and Pt3Sn shell thicknesses are considered and compared with the industrially used Pt and Pt3Sn catalysts. Density functional theory (DFT) calculations completely describe the reaction network of EDH, including the side reactions of deep dehydrogenation and C–C bond cracking. Kinetic Monte Carlo (kMC) simulations reveal the influences of the catalyst surface structure, experimentally related temperatures, and reactant partial pressures. The results show that CHCH* is the main precursor for coke formation, and Pt@Pt3Sn catalysts generally have higher C2H4(g) activity and lower selectivity compared to those of Pt3Sn@Pt catalysts, which is attributed to the unique surface geometrical and electronic properties. 1Pt3Sn@4Pt and 1Pt@4Pt3Sn are screened out as catalysts exhibiting excellent performance; especially, the 1Pt3Sn@4Pt catalyst has much higher C2H4(g) activity and 100% C2H4(g) selectivity compared to those of 1Pt@4Pt3Sn and the widely used Pt and Pt3Sn catalysts. The two descriptors C2H5* adsorption energy and reaction energy of its dehydrogenation to C2H4* are proposed to qualitatively evaluate the C2H4(g) selectivity and activity, respectively. This work facilitates a valuable exploration for optimizing the catalytic performance of core–shell Pt-based catalysts in EDH and reveals the great importance of the fine control of the catalyst shell surface structure and thickness.
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
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

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
1秒前
7秒前
Ghiocel完成签到,获得积分10
18秒前
24秒前
佟语雪完成签到,获得积分10
24秒前
轻松的惜芹应助喂喂采纳,获得10
28秒前
淳于如雪发布了新的文献求助10
31秒前
LLL完成签到 ,获得积分10
35秒前
yar应助淳于如雪采纳,获得10
36秒前
Koking关注了科研通微信公众号
41秒前
42秒前
淳于如雪完成签到,获得积分20
44秒前
lv发布了新的文献求助10
45秒前
我是老大应助吴嘉俊采纳,获得10
48秒前
49秒前
在水一方应助阿九采纳,获得10
54秒前
54秒前
ZT完成签到,获得积分10
58秒前
搜集达人应助zhouleiwang采纳,获得10
59秒前
吴嘉俊发布了新的文献求助10
1分钟前
仙人掌王朝完成签到,获得积分10
1分钟前
1分钟前
Hello应助zhouleiwang采纳,获得10
1分钟前
阿九完成签到,获得积分10
1分钟前
lllxxx完成签到 ,获得积分10
1分钟前
lv发布了新的文献求助10
1分钟前
冉亦完成签到,获得积分10
1分钟前
WGS完成签到,获得积分10
1分钟前
科研通AI2S应助科研通管家采纳,获得10
1分钟前
华仔应助科研通管家采纳,获得20
1分钟前
吉吉吉完成签到 ,获得积分10
1分钟前
1分钟前
阿九发布了新的文献求助10
1分钟前
大胆的小懒猪完成签到 ,获得积分10
1分钟前
111完成签到 ,获得积分10
1分钟前
1分钟前
yx_cheng应助001az采纳,获得30
1分钟前
1分钟前
miles完成签到,获得积分10
1分钟前
简单山水发布了新的文献求助10
1分钟前
高分求助中
The Mother of All Tableaux: Order, Equivalence, and Geometry in the Large-scale Structure of Optimality Theory 3000
A new approach to the extrapolation of accelerated life test data 1000
ACSM’s Guidelines for Exercise Testing and Prescription, 12th edition 500
Indomethacinのヒトにおける経皮吸収 400
Phylogenetic study of the order Polydesmida (Myriapoda: Diplopoda) 370
基于可调谐半导体激光吸收光谱技术泄漏气体检测系统的研究 350
Robot-supported joining of reinforcement textiles with one-sided sewing heads 320
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 3990012
求助须知:如何正确求助?哪些是违规求助? 3532049
关于积分的说明 11256153
捐赠科研通 3270925
什么是DOI,文献DOI怎么找? 1805123
邀请新用户注册赠送积分活动 882270
科研通“疑难数据库(出版商)”最低求助积分说明 809216