Papers citing Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis
Electronic, optical, and thermoelectric investigations of Zintl phase AAg2Se2 (A=Sr, Ba) compounds: A first-principle approach
Journal of Solid State Chemistry · 2022
Debidatta Behera, Ramesh Sharma, Hamid Ullah, Hafiza Sumaira Waheed, Sanat Kumar Mukherjee
Read original paper ↗ ·Simulation and characterization of cation disorder in $$\hbox {ZnGeP}_{2}$$
Journal of materials research/Pratt's guide to venture capital sources · 2022
Jacob J. Cordell, Linda Pucurimay, Rekha R. Schnepf, Ben L. Levy-Wendt, Michael F. Toney, Garritt J. Tucker, Stephan Lany, Adele C. Tamboli
Read original paper ↗ ·Chemical state analysis of reactively sputtered zinc vanadium nitride: The Auger parameter as a tool in materials design
Applied Surface Science · 2022
Siarhei Zhuk, Sebastian Siol
Read original paper ↗ ·Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications
Journal of the American Chemical Society · 2022
Ann L. Greenaway, Sijia Ke, Theodore H. Culman, Kevin R. Talley, John S. Mangum, Karen N. Heinselman, Ryan Kingsbury, Rebecca W. Smaha, Melissa K. Gish, Elisa M. Miller, Kristin Aslaug Persson, John M. Gregoire, Sage R. Bauers, Jeffrey B. Neaton, Adele C. Tamboli, Andriy Zakutayev
Read original paper ↗ ·Antimony nitride discovered by theoretical structure prediction, rapid thermal annealing, and in situ X-ray diffraction
Cell Reports Physical Science · 2022
Bor‐Rong Chen, Stephan Lany, Leah L. Kelly, Elisabetta Arca, Yuki Iguchi, John D. Perkins, Hiroshi Yanagi, Michael F. Toney, Laura T. Schelhas, Andriy Zakutayev
Read original paper ↗ ·Generative design of stable semiconductor materials using deep learning and density functional theory
npj Computational Materials · 2022
Edirisuriya M. Dilanga Siriwardane, Yong Zhao, Indika Perera, Jianjun Hu
Read original paper ↗ ·Novel Ternary Nitride Thin Film‐Based Self‐Powered, Broad Spectral Responsive Photodetector with a High Detectivity for Weak Light
Advanced Materials Technologies · 2022
Jeena George, Hajeesh Kumar Vikraman, Rence Painappallil Reji, Krishna Mamidipudi Ghanashyam, Surya Velappa Jayaraman, Yuvaraj Sivalingam, Mangalampalli S. R. N. Kiran
Read original paper ↗ ·DFT Calculations Using Quantum ESPRESSO for Optical and Electronic Properties of Si Crystal
Key engineering materials · 2022
Muhammad Hassan Bashir, Muhammad Sohail, Syed Mujtaba ul Hassan, Tayyaba Nawaz
Read original paper ↗ ·Theoretical study of the structure and fundamental properties of AZn2N2 (A = Ca, Sr, Ba)
Arabian Journal of Chemistry · 2022
Diwen Liu, Huan Peng, Rongjian Sa
Read original paper ↗ ·Fe2C- and Mn2(W/Mo)B4-based rare-earth-free permanent magnets as a result of the high-throughput and data-mining search
Materials Research Letters · 2022
Alena Vishina, Olle Eriksson, Heike C. Herper
Read original paper ↗ ·Revealing the structure and physical properties of Ba-based phosphide compounds: A theoretical study
Materials Chemistry and Physics · 2022
Diwen Liu, Huan Peng, Huihui Zeng, Rongjian Sa
Read original paper ↗ ·Design of New Ternary Nitrides for Photovoltaic Applications via High-Throughput Calculations
The Journal of Physical Chemistry C · 2022
Pengyan Xue, Dongdong Chu, Congwei Xie, Evgenii Tikhonov, Keith T. Butler
Read original paper ↗ ·Growth of magnesium nitride thin films on various surfaces via atomic-nitrogen-assisted molecular beam epitaxy at moderate substrate temperatures
Applied Physics A · 2022
Koen Schouteden, Luca Ceccon, María Recamán Payo, Yue Jun Sun, Wei-Fan Hsu, Vijay Shankar Rangasamy, Joff Derluyn, Mariela A. Menghini, Jin Won Seo, Jean‐Pierre Locquet
Read original paper ↗ ·High pressure chemistry
Elsevier eBooks · 2022
Ulrich T. Schwarz, Kristina Spektor, Ulrich Häußermann
Read original paper ↗ ·Pressure Induced Clathrate Hydrogen-Rich Superconductors KH20 and KH30
Inorganic Chemistry · 2022
Wendi Zhao, Hao Song, Zhao Liu, Mingyang Du, Zihan Zhang, Zhengtao Liu, Qiwen Jiang, Ling Chen, Defang Duan, Tian Shu Cui
Read original paper ↗ ·Structural and electronic properties of Na-B-H compounds at high pressure
Physical review. B./Physical review. B · 2022
Xing Li, Xiaohua Zhang, Aitor Bergara, Yong Liu, Guochun Yang
Read original paper ↗ ·Big Data in a Nano World: A Review on Computational, Data-Driven Design of Nanomaterials Structures, Properties, and Synthesis
ACS Nano · 2022
Ruoxi Yang, Caitlin A. McCandler, Oxana Andriuc, Martin Siron, Rachel Woods‐Robinson, Matthew K. Horton, Kristin Aslaug Persson
Read original paper ↗ ·The elastic, electronic, and optical properties of BaGe2P2 and BaGe2As2: A first-principles study
Physica B Condensed Matter · 2022
Meng Liu, Mengli Qin, Rongjian Sa, Diwen Liu
Read original paper ↗ ·Simulated Structural and Electronic Properties of Cation-Disordered ZnGeN 2 and its Interface with GaN
Physical Review Applied · 2022
Jacob J. Cordell, Moira K. Miller, M. Brooks Tellekamp, Adele C. Tamboli, Garritt J. Tucker, Stephan Lany
Read original paper ↗ ·In Situ IGZO/ZnON Phototransistor Free of Persistent Photoconductivity with Enlarged Spectral Responses
ACS Applied Electronic Materials · 2022
Yuseong Jang, Soo‐Yeon Lee
Read original paper ↗ ·A comparative study of the structural, elastic, thermophysical, and optoelectronic properties of CaZn2X2 (X = N, P, As) semiconductors via ab-initio approach
Results in Physics · 2023
Md. Sajidul Islam, Razu Ahmed, Md. Mahamudujjaman, R. S. Islam, Saleh Hasan Naqib
Read original paper ↗ ·High- T c superconductivity of polyhydride Rb 2 MgH 18 with a layered hydrogen structure at high pressure
Journal of Materials Chemistry C · 2023
Jianyun Wang, Ying Sun, Yulong Li, Shoutao Zhang, Bo Gao, Hanyu Liu
Read original paper ↗ ·High-throughput identification of materials for silicon tandem solar cells
Sustainable Energy & Fuels · 2023
Yan-Zhen Zhao, Zhikun Yao, Chang Liu, Wei Li Ren, Geoffroy Hautier, Lee A. Burton
Read original paper ↗ ·Pressure-induced high-temperature superconductivity in ternary Y–Zr–H compounds
Physical Chemistry Chemical Physics · 2023
Wendi Zhao, Hao Song, Mingyang Du, Qiwen Jiang, Tiancheng Ma, Ming Xu, Defang Duan, Tian Shu Cui
Read original paper ↗ ·Stable and Metastable Rare-Earth-Free Permanent Magnets from Crystal Structure Prediction
SSRN Electronic Journal · 2023
Alena Vishina, Olle Eriksson, Heike C. Herper
Read original paper ↗ ·Strain-induced giant enhancement of anisotropic dielectric constant in layered nitrides SrHfN 2 and SrZrN 2
Physical Chemistry Chemical Physics · 2023
Min Yao, Yuanyun Zhang, Jianmin Ban, Junjie Hou, Bowen Zhang, Junwei Liu, Xing Ming, Xiaojun Kuang
Read original paper ↗ ·Superconducting boron allotrope featuring pentagonal bipyramid at ambient pressure
Physical Chemistry Chemical Physics · 2023
Shuai Han, Yunxian Liu, Chao Wang, Wencai Yi, Xin Chen, Yongsheng Zhang, Xiaobing Liu
Read original paper ↗ ·Chemical Trends of Surface Reconstruction and Band Positions of Nonmetallic Perovskite Oxides from First Principles
Chemistry of Materials · 2023
Yasuhide Mochizuki, Ha‐Jun Sung, Tomoya Gake, Fumiyasu Oba
Read original paper ↗ ·High-Pressure Synthesis for New Functional Materials Search
The Review of High Pressure Science and Technology · 2023
Motoharu Imai
Read original paper ↗ ·Strong Green Photoluminescence in Zr3N4 Thin Films with an Orthorhombic Structure
The Journal of Physical Chemistry C · 2023
Yuhe Liu, Ni-Na Ge, Kunlun Wang, Niannian Li, Hui Sun, J.F. Pierson, Bo Dai, Yong Wang
Read original paper ↗ ·Synthesizable materials discovery via interpretable, physics-informed machine learning models
ChemRxiv · 2023
Susumu Fujii, Yuta Shimizu, Junji Hyodo, Akihide Kuwabara, Yoshihiro Yamazaki
Read original paper ↗ ·Theoretical exploration of the structure and physical properties of YbZn2X2 (X = N, P, As, Sb)
Journal of Solid State Chemistry · 2023
Rongjian Sa, Yanjie Zhang, Yali Huang, Yuansong Ye, Xiaodan Huang, Huihui Zeng, Diwen Liu
Read original paper ↗ ·High-temperature superconductivity up to 223 K in the Al stabilized metastable hexagonal lanthanum superhydride
National Science Review · 2023
Su Chen, Yingcai Qian, Xiaoli Huang, Wuhao Chen, Jianning Guo, Kexin Zhang, Jinglei Zhang, Huiqiu Yuan, Tian Shu Cui
Read original paper ↗ ·First-principles study on the conventional superconductivity of N-doped fcc-LuH3
Matter and Radiation at Extremes · 2023
Zihao Huo, Defang Duan, Tiancheng Ma, Zihan Zhang, Qiwen Jiang, Decheng An, Hao Song, Fubo Tian, Tian Shu Cui
Read original paper ↗ ·Polar Nitride Perovskite LaWN3‐δ with Orthorhombic Structure
Advanced Science · 2023
Xuefeng Zhou, Wenwen Xu, Zhigang Gui, Chao Gu, Jian Chen, Jianyu Xie, Xiaodong Yao, Junfeng Dai, Jinlong Zhu, Liusuo Wu, Er‐Jia Guo, Xiaohui Yu, Leiming Fang, Yusheng Zhao, Li Huang, Shanmin Wang
Read original paper ↗ ·Nanoscale LiZnN - Luminescent Half-Heusler Quantum Dots
ACS Applied Optical Materials · 2023
Sadie Carter‐Searjeant, Simon M. Fairclough, Sarah J. Haigh, Yichao Zou, Richard J. Curry, Peter N. Taylor, Chen Huang, Roland A. Fleck, P. Machado, Angus I. Kirkland, Mark Green
Read original paper ↗ ·A2BB’X6/ABX3-type High-performance perovskites screening based on ensemble learning and high throughput screening
Solar Energy · 2023
Fang Xu, Zhengxin Chen, Qian Ma, Jiang Wu, Jia Horng Lin, Jiawei Li, Wenhao Li, Chaofan Liu, Hongtao Shen, Linhong You
Read original paper ↗ ·First-principles investigation of the structural, electronic and optical properties of Zn2NbN3
Revista Mexicana de Física · 2023
Sanae Hassine, O. Farkad, R. Takassa, F. Elfatouaki, O. Choukri, Youssef Ijdiyaou, E.A. Ibnouelghazi, D. Abouelaoualim
Read original paper ↗ ·Computational design and exploration of nitride and oxide semiconductors
Journal of the Ceramic Society of Japan · 2023
Fumiyasu Oba
Read original paper ↗ ·Combinatorial Reactive Sputtering with Auger Parameter Analysis Enables Synthesis of Wurtzite Zn2TaN3
Chemistry of Materials · 2023
Siarhei Zhuk, Alexander Wieczorek, Amit Kumar Sharma, Jyotish Patidar, Kerstin Thorwarth, Johann Michler, Sebastian Siol
Read original paper ↗ ·Discovery of Unconventional Proton‐Conducting Inorganic Solids via Defect‐Chemistry‐Trained, Interpretable Machine Learning
Advanced Energy Materials · 2023
Susumu Fujii, Yuta Shimizu, Junji Hyodo, Akihide Kuwabara, Yoshihiro Yamazaki
Read original paper ↗ ·Machine-learning surrogate model for accelerating the search of stable ternary alloys
Physical Review Materials · 2023
Michail Minotakis, Hugo Rossignol, Matteo Cobelli, Stefano Sanvito
Read original paper ↗ ·Stable and metastable rare-earth-free permanent magnets from a database of predicted crystal structures
Acta Materialia · 2023
Alena Vishina, Olle Eriksson, Heike C. Herper
Read original paper ↗ ·Fully autonomous materials screening methodology combining first-principles calculations, machine learning and high-performance computing system
Science and Technology of Advanced Materials Methods · 2023
Akira Takahashi, Kei Terayama, Yu Kumagai, Ryo Tamura, Fumiyasu Oba
Read original paper ↗ ·Electronic Properties of Zn2V(1–x)NbxN3 Alloys to Model Novel Materials for Light-Emitting Diodes
The Journal of Physical Chemistry Letters · 2023
Ana-Maria Stratulat, Christian Tantardini, Maryam Azizi, Tariq Altalhi, Sergey V. Levchenko, Boris I. Yakobson
Read original paper ↗ ·Cubic H3S stabilized by halogens: High-temperature superconductors at mild pressure
Science China Physics Mechanics and Astronomy · 2023
Zihao Huo, Defang Duan, Qiwen Jiang, Zihan Zhang, Tian Shu Cui
Read original paper ↗ ·Phonon-mediated superconductivity in $${\text{Mg}}_{{1 - x}} {\text{Mo}}_{x} {\text{B}}_{2}$$ compounds: a crystal prediction via cluster expansion and particle-swarm optimization
Scientific Reports · 2023
Prutthipong Tsuppayakorn‐aek, Wei Dong Luo, Rajeev Ahuja, Thiti Bovornratanaraks
Read original paper ↗ ·Refined phase diagram and kagome-lattice superconductivity in Mg-Si system
Physical Review Materials · 2023
Da-Bao Zha, Peng Jiang, Hongmei Huang, Yanling Li
Read original paper ↗ ·First-principles insights into the ferroelectric, dielectric, and piezoelectric properties of polar Pca21 SbN
Physical review. B./Physical review. B · 2023
Shihao Wang, Zun‐Yi Deng, Shuhan Li, Peng Lv, Jing Wang, Xueyun Wang, Gang Tang, Jiawang Hong
Read original paper ↗ ·Unexpected Metastable High-Temperature Superconducting Hydride LaCaH12 with an Irregular Cage Structure at High Pressure
The Journal of Physical Chemistry C · 2023
Zhen Liu, Wenjie Hou, Jorge Botana, Yunfei Sun, Yuanhui Sun, Wencai Yi, Yuanzheng Chen
Read original paper ↗ ·