Evaluating In-Plane Thermal Expansion of Two-Dimensional Layered Materials via Effective Descriptors

热膨胀 各向异性 材料科学 张量(固有定义) 柯西应力张量 压力(语言学) 声子 热的 热障涂层 材料性能 负热膨胀 复合材料 凝聚态物理 光学 几何学 数学 热力学 数学分析 物理 图层(电子) 哲学 语言学
作者
Yilin Zhang,Yuanhui Sun,Huimin Mu,Hongshuai Zou,Fuyu Tian,Yuhao Fu,Lijun Zhang
出处
期刊:Journal of Physical Chemistry C [American Chemical Society]
卷期号:127 (19): 9407-9417 被引量:2
标识
DOI:10.1021/acs.jpcc.3c02071
摘要

Two-dimensional layered materials show promising applications in miniaturized devices, such as transistors, spintronics, and field emitters. However, substantial thermal management issues, including thermal mismatch and thermal stress, may degrade device performance. To address such challenges, the thermal expansion (TE) anisotropy determined by the structure feature of layered material needs to be well understood. Here, we propose two new descriptors to evaluate the TE behavior of layered materials, namely the axial elastic deviation factor σi and the axial net thermal stress fi along the ith direction. The former, defined as the normalized elastic element difference of material elastic tensor C and compliance tensor S, can distinguish whether the thermal expansion of a material is driven by phonons (with small σi) or elastic property (with large σi) with few computational costs. The latter, axial stress (in GPa/K) induced by temperature, shows an accurate determination of the positive or negative thermal expansion along different in-plane directions of layered materials. Based on the analysis of descriptors, we found that PtS2 and PtSe2 are featured with a larger axial elastic deviation factor (>23%). Considering the elastic property, we for the first time report the in-plane negative thermal expansion in PtS2 (−1.2 ppm/K) and PtSe2 (−0.8 ppm/K). Our work provides a unified understanding of TE causes of layered materials via effective descriptors, which can serve as a guideline for high-throughput screening of thermal expansion materials and subsequent device design.
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
最专业完成签到,获得积分10
1秒前
1秒前
dandan发布了新的文献求助30
2秒前
万能图书馆应助小学森采纳,获得10
2秒前
黄子舟完成签到,获得积分10
2秒前
3秒前
4秒前
4秒前
梁皓然发布了新的文献求助10
5秒前
5秒前
林正心发布了新的文献求助10
6秒前
Zhoey完成签到,获得积分10
7秒前
重要芝完成签到 ,获得积分10
7秒前
7秒前
9秒前
9秒前
孤独天薇完成签到,获得积分10
9秒前
123456发布了新的文献求助10
10秒前
浮生完成签到 ,获得积分10
10秒前
pluto应助隐形铃铛采纳,获得10
10秒前
叮叮当发布了新的文献求助10
10秒前
啥时候能退休完成签到,获得积分10
10秒前
10秒前
10秒前
稳重的蜜蜂完成签到,获得积分10
11秒前
baifan完成签到,获得积分10
11秒前
李健的小迷弟应助莫里采纳,获得10
12秒前
AAACharlie完成签到,获得积分20
12秒前
朴素小刺猬完成签到,获得积分10
14秒前
娟娟完成签到,获得积分20
14秒前
乐乐应助学术小牛采纳,获得10
14秒前
15秒前
16秒前
16秒前
17秒前
17秒前
18秒前
小小兔完成签到,获得积分10
18秒前
Wang发布了新的文献求助10
18秒前
张雯雯发布了新的文献求助20
19秒前
高分求助中
Ophthalmic Equipment Market by Devices(surgical: vitreorentinal,IOLs,OVDs,contact lens,RGP lens,backflush,diagnostic&monitoring:OCT,actorefractor,keratometer,tonometer,ophthalmoscpe,OVD), End User,Buying Criteria-Global Forecast to2029 2000
A new approach to the extrapolation of accelerated life test data 1000
Cognitive Neuroscience: The Biology of the Mind 1000
Cognitive Neuroscience: The Biology of the Mind (Sixth Edition) 1000
ACSM’s Guidelines for Exercise Testing and Prescription, 12th edition 588
Christian Women in Chinese Society: The Anglican Story 500
A Preliminary Study on Correlation Between Independent Components of Facial Thermal Images and Subjective Assessment of Chronic Stress 500
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 3961408
求助须知:如何正确求助?哪些是违规求助? 3507744
关于积分的说明 11137921
捐赠科研通 3240204
什么是DOI,文献DOI怎么找? 1790848
邀请新用户注册赠送积分活动 872587
科研通“疑难数据库(出版商)”最低求助积分说明 803288