Zobrazeno 1 - 10
of 582
pro vyhledávání: '"DFT-simulation"'
Autor:
Dayal Chandra Roy, Md Atikur Rahman, Sushmita Sarker, Ahmad Irfan, Aijaz Rasool Chaudhry, Md Ferdous Rahman
Publikováno v:
Journal of Materials Research and Technology, Vol 30, Iss , Pp 2781-2797 (2024)
In present investigation, we elucidated the structural, elastic, optical, mechanical, electronic, and thermodynamics properties of AB2 (A = Hf, Zr, and BCo, W) laves phases via first principles scheme of density functional hypothesis. The effect o
Externí odkaz:
https://doaj.org/article/55df0fffaa0848349aa862c5e66e1d80
Autor:
Neem, Mahesh a, b, Mondal, Partha Pratim a, b, Palakkal, Athulya S. c, Neogi, Subhadip a, b, ⁎
Publikováno v:
In Chemical Engineering Journal 15 January 2025 504
Autor:
Kabiru Haruna, Sani I. Abba, Jamil Usman, A.G. Usman, Abdulrahman Musa, Tawfik A. Saleh, Isam H. Aljundi
Publikováno v:
Carbon Trends, Vol 16, Iss , Pp 100373- (2024)
The effective prediction of corrosion inhibition efficiency (%IE) of modified graphene oxides (GOs); diaminohexane-modified graphene oxide (DAH-GO) and diaminooctane-modified graphene oxide (DAO-GO) is vital for advanced material applications. This s
Externí odkaz:
https://doaj.org/article/62288b85a0c442b382237dbd9b9a0178
Publikováno v:
Carbon Capture Science & Technology, Vol 12, Iss , Pp 100222- (2024)
Viscosity and absorption capacity are the main indexes to evaluate functionalized ionic liquids. Based on the precise design strategy of both anion and cation absorption, a dual-functionalized protic IL diethylenetriamine methylurea ([DETAH][MEUR]) f
Externí odkaz:
https://doaj.org/article/59e0a1197e104c78bae5299719772eb7
Autor:
Gong, Yanlong a, Yang, Xiaohong b, Zhang, Ying c, Li, Jingyun a, Xu, Liang c, ⁎, Li, Song d, ⁎, Fu, Haitao a, ⁎, An, Xizhong a
Publikováno v:
In Chemical Engineering Journal 15 November 2024 500
Autor:
Nazir, Ahsan a, b, ⁎, Rasool, Ameena Tur c, Chen, Chuntao a, Sun, Bianjing a, Sun, Dongping a, ⁎⁎
Publikováno v:
In Materials Science in Semiconductor Processing 15 March 2025 188
Autor:
Beniwal, Preeti, Dhilip Kumar, T.J. ⁎
Publikováno v:
In Journal of Energy Storage 1 February 2025 108
Autor:
Ran Tao, Hakkim Vovusha, Xiaole Li, Ruslan Melentiev, Kaichen Zhu, Mario Lanza, Udo Schwingenschlögl, Amit K. Tevtia, Gilles Lubineau
Publikováno v:
Journal of Materials Research and Technology, Vol 29, Iss , Pp 4384-4393 (2024)
The electroplating of copper layers on acrylonitrile–butadiene–styrene (ABS) polymer surfaces is a common need in industrial applications. The development of new eco-friendly techniques to promote ABS–copper adhesion is crucial due to the harsh
Externí odkaz:
https://doaj.org/article/5016764071dd48b39e50b6695ace3e24
Autor:
Rutuja Gumathannavar, Anil Thormothe, Pankhudi Bhutada, Mandar M. Shirolkar, Atul Kulkarni, Santosh Koratkar
Publikováno v:
Nanocomposites, Vol 9, Iss 1, Pp 159-170 (2023)
AbstractChitosan, a biopolymer known for its biocompatibility, biodegradability, and chemical adaptability, has attracted significant attention in scientific research. Chitosan-metal nanocomposites represent an emerging area of exploration. Among the
Externí odkaz:
https://doaj.org/article/cce7a757d2ae4a19bbd784247c682e93
Autor:
Lv, Lina a, b, Deng, Tingting a, c, Wang, Lu a, c, Peng, Hao a, b, Chen, He a, b, Li, Xiaoyu a, b, ⁎, Chi, Fangting a, b, c, d, ⁎
Publikováno v:
In Desalination 1 May 2025 600