Zobrazeno 1 - 10
of 194
pro vyhledávání: '"Dmitri S, Kilin"'
Publikováno v:
The Journal of Physical Chemistry C. 127:9213-9224
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::150ac0021b7370a5bd286c0039af4444
https://doi.org/10.1021/acs.jpcc.2c08711
https://doi.org/10.1021/acs.jpcc.2c08711
Publikováno v:
Physical Chemistry Chemical Physics. 25:14757-14765
Silver metal clusters supported by a silicon solid surface show molecular electronic structure requiring ab initio treatments, and they also can display collective electronic phenomena similar to plasmons in metal solids.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f8b2afa9f8589752ce4f45224ced558
https://doi.org/10.1039/d2cp04922h
https://doi.org/10.1039/d2cp04922h
Publikováno v:
The Journal of Physical Chemistry C. 126:6119-6128
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e55e59973403f17525a90cb15e817f5
https://doi.org/10.1021/acs.jpcc.1c10206
https://doi.org/10.1021/acs.jpcc.1c10206
Autor:
Aaron Forde, Dmitri S. Kilin
Publikováno v:
Journal of Chemical Theory and Computation. 17:7224-7236
Lead halide perovskite (LHP) nanocrystals (NCs) show exceptional defect tolerance which has been attributed to their unique electronic structure, where defect energy levels are not introduced inside the fundamental bandgap, and the role of polarons i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::20ec9f3fa36745edcdd66ce3f0e7ce83
https://doi.org/10.1021/acs.jctc.1c00691
https://doi.org/10.1021/acs.jctc.1c00691
Autor:
Reed J. Petersen, Salim A. Thomas, Aaron Forde, Samuel L. Brown, Erik K. Hobbie, Dmitri S. Kilin
Publikováno v:
The Journal of Physical Chemistry C. 125:18849-18856
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ccf8d30ad655f3c6ec76ba4fd608e004
https://doi.org/10.1021/acs.jpcc.1c06995
https://doi.org/10.1021/acs.jpcc.1c06995
Publikováno v:
The Journal of Physical Chemistry C. 125:14979-14990
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c88be7bda45f7d0a46cfaf0f7be9b8a1
https://doi.org/10.1021/acs.jpcc.1c03012
https://doi.org/10.1021/acs.jpcc.1c03012
Autor:
Shixiong Zhou, Tingting Shi, Zhihong Chen, Dmitri S. Kilin, Lingling Shui, Mingliang Jin, Zichuan Yi, Mingzhe Yuan, Nan Li, Xiaobao Yang, Qingguo Meng, Xin Wang, Guofu Zhou
Publikováno v:
Catalysts, Vol 9, Iss 2, p 198 (2019)
To explore the photocatalytic performances and optoelectronic properties of pure and doped bismuth oxyhalides D-doped BiOX (D = Ag, Pd; X = F, Cl, Br, I) compounds, their atomic properties, electronic structures, and optical properties were systemati
Externí odkaz:
https://doaj.org/article/8a3cd57085f14a31a4f48f25396e61fa
Autor:
Mary Lenertz, Zhongyu Yang, Yulun Han, Hui Li, Angel Ugrinov, Yanxiong Pan, Bingcan Chen, Dmitri S. Kilin
Publikováno v:
Green Chemistry. 23:4466-4476
Metal–organic frameworks/materials (MOFs/MOMs) are advanced enzyme immobilization platforms that improve biocatalysis, materials science, and protein biophysics. A unique way to immobilize enzymes is co-crystallization/co-precipitation, which remov
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3afa39670486eff0ee0f92d6ab7438c2
https://doi.org/10.1039/d1gc00775k
https://doi.org/10.1039/d1gc00775k
Publikováno v:
The Journal of chemical physics. 156(10)
A theoretical treatment based on the equations of motion of an electronic reduced density matrix, and related computational modeling, is used to describe and calculate relaxation times for nanostructured TiO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::088a45055eba34d24c898dc7e57d192c
https://pubmed.ncbi.nlm.nih.gov/35291769
https://pubmed.ncbi.nlm.nih.gov/35291769
Autor:
Dmitri S. Kilin, Yulun Han
Publikováno v:
The Journal of Physical Chemistry Letters. 11:9983-9989
Lead halide perovskites have attracted much attention as an active material in solar cells. In this first-principles study, we consider a cesium lead halide perovskite slab interfacing with electron transport and hole transport layers, relevant to th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1515feaf94c442eaecb2ad0ec71d82a8
https://doi.org/10.1021/acs.jpclett.0c02973
https://doi.org/10.1021/acs.jpclett.0c02973