Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Hassan Aljama"'
Publikováno v:
The Journal of Physical Chemistry C. 127:9022-9029
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::15832702d2f89dd32b00185f067d2abc
https://doi.org/10.1021/acs.jpcc.3c00903
https://doi.org/10.1021/acs.jpcc.3c00903
H2S, a highly toxic chemical, is produced in massive quantities worldwide as a by-product. Environmental regulations require >99% sulfur recovery, which is currently met using sulfur recovery units based on the Claus process, where H2S is converted t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b025dc0f137209658d532eb597acb051
https://doi.org/10.26434/chemrxiv-2022-f0r9r
https://doi.org/10.26434/chemrxiv-2022-f0r9r
Autor:
Hassan Aljama
The data set contains: Nuclear repulsion energy: xyz coordinates of CHA and BEA energies given in json file (CHA-NRE.json and BEA-NRE.jon) Structures: xyz coordinates of the DFT optimized structures of either Pd-exchanged zeolite (CHA or BEA) or prot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::31a24eecaffd7663eb3ea03c721f0ec4
Autor:
Paul Kim, Jeroen Van der Mynsbrugge, Hassan Aljama, Trevor M. Lardinois, Rajamani Gounder, Martin Head-Gordon, Alexis T. Bell
This study investigates NO adsorption on Pd-exchanged chabazite (Pd/H-CHA), a promising passive NOx adsorber (PNA) for capturing cold-start NOx emissions of gasoline- and diesel-powered vehicles. Temperature-programed desorption (TPD) and IR spectros
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e1a1c55d5cefe73247a63ecdcd8b2f1
https://escholarship.org/uc/item/3dn3k2kr
https://escholarship.org/uc/item/3dn3k2kr
Autor:
Cody J. Wrasman, Ansgar Schäfer, Roel S. Sánchez-Carrera, Emmett D. Goodman, Frank Abild-Pedersen, Yuejin Li, Hassan Aljama, Luke T. Roling, Verena Streibel, An-Chih Yang, Simon R. Bare, Tej S. Choksi, Matteo Cargnello, Dionne Thomas
Publikováno v:
Proc Natl Acad Sci U S A
Supported metal catalysts are extensively used in industrial and environmental applications. To improve their performance, it is crucial to identify the most active sites. This identification is, however, made challenging by the presence of a large n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c36db1592497f5ed9cb5aee935ca2b6
https://doi.org/10.1073/pnas.2002342117
https://doi.org/10.1073/pnas.2002342117
Autor:
Hassan Aljama, Frank Abild-Pedersen
Publikováno v:
Physical Chemistry Chemical Physics. 21:25328-25333
The search for catalysts that can efficiently convert large hydrocarbons has been an active area of research for decades. To gain insight into those reactions, electronic structure calculations are playing an increasing role but the screening efforts
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c9a626afa792fb2b7b171562c8600d8
https://doi.org/10.1039/c9cp04897a
https://doi.org/10.1039/c9cp04897a
Publikováno v:
Nature communications, vol 13, iss 1
Cation exchanged-zeolites are functional materials with a wide range of applications from catalysis to sorbents. They present a challenge for computational studies using density functional theory due to the numerous possible active sites. From Al con
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::970ce97108245c571e5eac23c868e9bb
https://pubmed.ncbi.nlm.nih.gov/35614062
https://pubmed.ncbi.nlm.nih.gov/35614062
Publikováno v:
The Journal of Physical Chemistry C. 122:22544-22548
We study oxidative coupling of methane (OCM) on alkaline earth metal oxides (AEMOs) doped with either a transition metal (TM) or an alkaline earth metal (AEM) different from that of the host oxide. We assess whether doping can lead to new materials t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::313278bba581db005546672906ac4f22
https://doi.org/10.1021/acs.jpcc.8b06682
https://doi.org/10.1021/acs.jpcc.8b06682
Publikováno v:
Chemical Engineering Journal. 419:129416
Direct conversion of CO2 with methane was studied over a selective catalyst to produce valuable chemicals. A ZrO2/TiO2 based catalyst was prepared by co-participation and wet impregnation methods. The catalyst was characterized by different technique
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fcb88a37d5da76cf2abad0f79ebe69f1
https://doi.org/10.1016/j.cej.2021.129416
https://doi.org/10.1016/j.cej.2021.129416
Autor:
Dimosthenis Sokaras, Hassan Aljama, Thomas F. Jaramillo, Matteo Cargnello, Frank Abild-Pedersen, Joshua J. Willis, Emmett D. Goodman, Alessandro Gallo, S. Nowak, Liheng Wu, Christopher J. Tassone
Publikováno v:
ACS Catalysis. 7:7810-7821
To limit further rising levels in methane emissions from stationary and mobile sources and to enable promising technologies based on methane, development of efficient combustion catalysts that completely oxidize CH4 to CO2 and H2O at low temperatures
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::712d3475ab507aa1f98a0248b564bb4c
https://doi.org/10.1021/acscatal.7b02414
https://doi.org/10.1021/acscatal.7b02414