logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
arrow
返回期刊详情
Computational Condensed Matter 封面图

Computational Condensed Matter

IF3.9
论文数493
被引数2092
期刊论文 493
发表时间
delete
Ab initio investigation of the stability, electronic, mechanical, thermodynamic, and hydrogen storage properties of KVH3 and KNbH3 perovskite hydrides从头算研究KVH3和KNbH3钙钛矿氢化物的稳定性、电子、力学、热力学及储氢性能
deleteComputational Condensed Matter
IF3.9
delete2026-10-28
delete0
PREAI
deleteHamza Bochaoui; Mohamed El Bouabdellati
delete分享
delete收藏
Rigid-Band Doping Engineering of the Thermoelectric Power Factor in Molybdenum and Titanium-based MAX-Phases钼和钛基MAX相热电功率因子的刚性带掺杂工程
deleteComputational Condensed Matter
IF3.9
delete2026-10-28
delete0
PREAI
deleteMaryam Sirati-Gohari; Sirus Javadpour
delete分享
delete收藏
Line-Defect Engineering and 3d Transition-Metal Doping of Layered TaSe2 for the Hydrogen Evolution Reaction层状TaSe2的线缺陷工程与3d过渡金属掺杂用于氢气演化反应
deleteComputational Condensed Matter
IF3.9
delete2026-10-27
delete0
PREAI
deleteHung-Lung Chou; Xin-Hong Shi
delete分享
delete收藏
STRAIN ENGINEERING OF MECHANICAL AND ELECTRONIC PROPERTIES IN MONOLAYER CRS2: A DENSITY FUNCTIONAL THEORY STUDY单层CRS2的力学和电子性质应变调控：密度泛函理论研究
deleteComputational Condensed Matter
IF3.9
delete2026-10-26
delete0
PREAI
deletenull Tran; null Le; null Do
delete分享
delete收藏
First-Principles Investigation of Zn, Cu, and Fe Substitution in Zintl Phosphide BaCd2P2: Electronic and Optical Properties for Photovoltaic Applications基于第一性原理的BaCd2P2锑磷化物中Zn、Cu和Fe取代效应研究：光伏应用中的电子与光学性质
deleteComputational Condensed Matter
IF3.9
delete2026-10-26
delete0
PREAI
deleteNoman Sohail; Shehroz Abdullah; Suhrab Khan; Iqra Abdullah; Faizan Ahmad Khan; Muhammad Asif; Arslan Ahmad; Waqar Ahmad; Anila Asif
delete分享
delete收藏
Strain-tunable electronic, optical, and anisotropic carrier transport in novel AlSiS and AlSiSe monolayers and their van der Waals Heterostructure: a first-principles study应变可调的电子、光学及各向异性载流子输运特性研究：基于第一性原理的新型AlSiS和AlSiSe单层及其范德华异质结构
deleteComputational Condensed Matter
IF3.9
delete2026-10-19
delete0
PREAI
deleteAli Obies Muhsen Almayyali; Alaa Nihad Tuama; Hamad Rahman Jappor; Hamza A. Mezher; Samah Al-Qaisi; Rabah Khenata; Saad Bin-Omran; Muhammad Faizan; Shulin Luo
delete分享
delete收藏
X-ray magnetic circular dichroism and resonant inelastic x-ray scattering in Sr2YIrO6 from first principlesSr2YIrO6的X射线磁圆二色和共振非弹性X射线散射的第一性原理研究
deleteComputational Condensed Matter
IF3.9
delete2026-10-15
delete0
PREAI
deleteD.A. Kukusta; L.V. Bekenov; V.N. Antonov
delete分享
delete收藏
Effect of Biaxial Strain on the Electronic and Optical Properties of Two-Dimensional Material t-GeC: A DFT Study双轴应变对二维材料t-GeC电子和光学性质的影响：一项DFT研究
deleteComputational Condensed Matter
IF3.9
delete2026-10-14
delete0
PREAI
deleteM. Oudahman; M. Houmad; R. Masrour; A. Rezzouk
delete分享
delete收藏
Density functional theory investigation of CsMnBrxI3-x (x = 0-3) halide perovskites for optoelectronic applications密度泛函理论研究CsMnBrxI3-x (x = 0-3)卤化物钙钛矿在光电器件中的应用
deleteComputational Condensed Matter
IF3.9
delete2026-10-14
delete0
deleteOAAI
deleteSara S. Al-Maadeed; Ahmad I. Ayesh
delete分享
delete收藏
First principles studies of structural, optoelectronic and thermoelectric properties of GeS2/MoXY ((X Y)= S, Se, Te) van der Waals heterostructures基于第一性原理研究GeS2/MoXY ((X ≠ Y)= S, Se, Te)范德华异质结构的结构、光电和热电性质
deleteComputational Condensed Matter
IF3.9
delete2026-10-14
delete0
PREAI
deleteSyed Muhammad Hammad Naeem; Farah Nisar; Rafique Azam; Catherine Stampfl
delete分享
delete收藏
Structure, Chemical Bonding and Elastic Properties of Alkali Metal Hydroxides: a Predictive DFT Study碱金属氢氧化物的结构、化学键合和弹性性质：一项预测性DFT研究
deleteComputational Condensed Matter
IF3.9
delete2026-10-14
delete0
PREAI
deleteYurii Zhuravlev; Victor Atuchin
delete分享
delete收藏
Asymmetric ZrSSe Janus monolayers: A first-principles insight into electronic structure and solar cell efficiency不对称ZrSSe Janus单层：基于第一性原理的电子结构与太阳能电池效率的洞察
deleteComputational Condensed Matter
IF3.9
delete2026-10-10
delete0
deleteOAAI
deleteMuhammad Irfan; Bill D. Aparicio Huacarpuma; Alysson M.A. Silva; L.A. Ribeiro; Alexandre C. Dias
delete分享
delete收藏
Distance-Controlled Magnetism of Fe on Graphite C(0001): A Spin-Polarized DFT Study.石墨C(0001)上Fe的间距控制磁性：自旋极化DFT研究
deleteComputational Condensed Matter
IF3.9
delete2026-10-09
delete0
PREAI
deleteMansy Samy
delete分享
delete收藏
Doping of MoS2 basal planes with transition metals for hydrogen evolution: Linking electronic structure, hydrogen adsorption, and catalytic activity过渡金属掺杂MoS2基面用于氢气演化：关联电子结构、氢吸附和催化活性
deleteComputational Condensed Matter
IF3.9
delete2026-10-07
delete0
PREAI
deleteVictor Solomon; Sunday Temitope Oyinbo; Tien-Chien Jen
delete分享
delete收藏
Why halide perovskites tolerate non-magnetic 3d metal defects: A first-principles study为何卤化物钙钛矿能够容忍非磁性3d金属缺陷：一项第一性原理研究
deleteComputational Condensed Matter
IF3.9
delete2026-10-07
delete0
PREAI
deleteMisbah Shaheen; Sheharyar Pervez
delete分享
delete收藏
Rare-Earth-Doped Phosphorene for Infrared Optoelectronic, Spintronic, and Thermoelectric Applications稀土掺杂磷烯在红外光电器件、自旋电子学和热电器件中的应用
deleteComputational Condensed Matter
IF3.9
delete2026-10-06
delete0
PREAI
deleteKiran Riaz; Han Zhang; Haq Inzamam ul; Ishfaq Ahmed; Muhammad Naeem Tabassam; Taojian Fan
delete分享
delete收藏
Atomistic insights into crystallization water in K-struvite: relevance to magnesium potassium phosphate cementK-鸟粪石中结晶水的原子级见解：与镁钾磷酸盐水泥的相关性
deleteComputational Condensed Matter
IF3.9
delete2026-10-01
delete0
PREAI
deleteAnton Kasprzhitskii; Alexander Kruglikov; Georgy Lazorenko
delete分享
delete收藏
Stacking engineered 5 nm two-dimensional SiC transistors堆叠工程化的5纳米二维SiC晶体管
deleteComputational Condensed Matter
IF3.9
delete2026-10-01
delete0
PREAI
deleteChao Feng; Xiang Chen; Chaojun Gao; Jinbo Yang; Jie Yang
delete分享
delete收藏
Relativistic effects on the mechanical, electronic, and superconducting behavior of actinide binaries Th2X (X = Cu, Ag, Au)锕系二元化合物Th2X (X = Cu, Ag, Au)的力学、电子和超导行为的相对论效应
deleteComputational Condensed Matter
IF3.9
delete2026-10-01
delete0
PREAI
deleteH. Sichula; S. Baǧcı; H.Y. Uzunok; Sena Nur Çetin; H.M. Tütüncü
delete分享
delete收藏
First-principles study of the structural, electronic, and optical properties of Na3In2P3 and Na3Ga2P3 phosphidotrielate semiconductors基于第一性原理的Na3In2P3和Na3Ga2P3磷化三价金属半导体材料的结构、电子和光学性质研究
deleteComputational Condensed Matter
IF3.9
delete2026-09-30
delete0
PREAI
deleteMuhammad Ikram; Fatima Rahman; Hafsa Gul; Muhammad Bashir; Asad Zaman; Ata Ur Rahman
delete分享
delete收藏