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的填写文献信息,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!

Hydrogen Spillover in Tungsten Oxide Bronzes as Observed by Broadband Neutron Spectroscopy

氢溢流 中子散射 化学 散射 材料科学 原子物理学 物理 光学 有机化学
作者
E. Lalik,Stewart F. Parker,Gavin J. Irvine,Iván da Silva,M. Gutmann,Giovanni Romanelli,Kacper Drużbicki,R. Kosydar,M. Krzystyniak
出处
期刊:Energies [Multidisciplinary Digital Publishing Institute]
卷期号:16 (14): 5496-5496 被引量:2
标识
DOI:10.3390/en16145496
摘要

Hydrogen spillover is an elusive process, and its characterization, using experimental probes and ab initio modeling, poses a serious challenge. In this work, the nuclear quantum dynamics of hydrogen in a palladium-decorated cubic polymorph of tungsten oxide, Pd/cWO3, are characterized by the technique of neutron Compton scattering augmented by ab initio harmonic lattice modeling. The deeply penetrating nature of the neutron scattering process, the lack of spectroscopic selection rules, the inherent high sensitivity to hydrogen, the high energy and momentum resolution for hydrogen, and the mass selectivity of the technique render the neutron Compton scattering a very potent and unique tool for investigating the local dynamics of hydrogen species in bulk matrices. The total neutron Compton scattering response of hydrogen is described in terms of the hydrogen momentum distribution. The distribution is deconvoluted under the assumption of three pools of hydrogen with distinctly different nuclear quantum dynamical behavior: (i) hydrogen-terminated beta-palladium hydride, (ii) hydrogen in acid centers (OH+ groups) on the surface of the cubic phase of tungsten oxide, and (iii) quasi-free atomic hydrogen inside the saturated hydrogen bronze resulting from the spillover process. The ab initio modeling of lattice dynamics yields theoretical predictions for the values of the widths of proton momentum distributions in the first two hydrogen pools, which allows for obtaining the contribution and the width of the momentum distribution of the quasi-free atomic hydrogen resulting from the hydrogen spillover process. The analysis reveals that the local binding strength of the quasi-free hydrogen is characterized by the values of nuclear momentum distribution width, nuclear kinetic energy, and force constant of the underlying potential of the mean force close to those of free, unconstrained hydrogen atomic species in a gas of non-interacting particles described by the Maxwell–Boltzmann distribution. Moreover, this picture of the local dynamics of the quasi-free hydrogen is consistent with the proton polaron model of hydrogen-induced coloration of bulk hydrogenated WO3.
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
科研通AI2S应助Billy采纳,获得10
刚刚
科研难完成签到,获得积分0
4秒前
6秒前
么么么发布了新的文献求助10
6秒前
frap完成签到,获得积分0
7秒前
杨无敌完成签到 ,获得积分10
9秒前
Glitter完成签到 ,获得积分10
13秒前
14秒前
20秒前
想要赚大钱完成签到,获得积分10
21秒前
11发布了新的文献求助10
23秒前
李荷花完成签到 ,获得积分10
24秒前
韦雪莲完成签到 ,获得积分10
27秒前
hhhhhhhhhh完成签到 ,获得积分10
33秒前
hanshishengye完成签到 ,获得积分10
34秒前
好好学习应助11采纳,获得10
41秒前
45秒前
上官若男应助冰冰采纳,获得10
47秒前
50秒前
53秒前
53秒前
56发布了新的文献求助10
56秒前
58秒前
王_123123123123w完成签到 ,获得积分10
59秒前
冰冰发布了新的文献求助10
1分钟前
魁梧的盼望完成签到 ,获得积分10
1分钟前
怡然的乘风完成签到 ,获得积分10
1分钟前
斯寜应助科研通管家采纳,获得10
1分钟前
科研通AI5应助科研通管家采纳,获得10
1分钟前
斯寜应助科研通管家采纳,获得10
1分钟前
斯寜应助科研通管家采纳,获得10
1分钟前
思源应助科研通管家采纳,获得10
1分钟前
silvery完成签到 ,获得积分20
1分钟前
1分钟前
斯寜举报1117求助涉嫌违规
1分钟前
chenjzhuc应助高高的坤采纳,获得10
1分钟前
今天开心吗完成签到 ,获得积分10
1分钟前
Isaac完成签到 ,获得积分10
1分钟前
1分钟前
iui飞完成签到,获得积分20
1分钟前
高分求助中
Technologies supporting mass customization of apparel: A pilot project 600
Introduction to Strong Mixing Conditions Volumes 1-3 500
Tip60 complex regulates eggshell formation and oviposition in the white-backed planthopper, providing effective targets for pest control 400
Optical and electric properties of monocrystalline synthetic diamond irradiated by neutrons 320
共融服務學習指南 300
Essentials of Pharmacoeconomics: Health Economics and Outcomes Research 3rd Edition. by Karen Rascati 300
Peking Blues // Liao San 300
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 物理 生物化学 纳米技术 计算机科学 化学工程 内科学 复合材料 物理化学 电极 遗传学 量子力学 基因 冶金 催化作用
热门帖子
关注 科研通微信公众号,转发送积分 3800880
求助须知:如何正确求助?哪些是违规求助? 3346402
关于积分的说明 10329217
捐赠科研通 3062864
什么是DOI,文献DOI怎么找? 1681220
邀请新用户注册赠送积分活动 807463
科研通“疑难数据库(出版商)”最低求助积分说明 763702