1 M. Myint, Y. Yan, J.G. Chen, Reaction Pathways of Propanal and 1-Propanol on Fe/Ni(111) and Cu/Ni(111) Bimetallic Surfaces, The Journal of Physical Chemistry C, 118 (2014) 11340.
2) A. Mukherji, B. Seger, G.Q. Lu, L. Wang, Nitrogen Doped Sr2Ta2O7 Coupled with Graphene Sheets as Photocatalysts for Increased Photocatalytic Hydrogen Production, ACS Nano, 5 (2011) 3483.
3) Y. Ge, Z.H. Shah, X.-J. Lin, R. Lu, Z. Liao, S. Zhang, Highly Efficient Pt Decorated CoCu Bimetallic Nanoparticles Protected in Silica for Hydrogen Production from Ammonia–Borane, ACS Sustainable Chemistry & Engineering, 5 (2017) 1675.
4) C.T. Vo, L.K. Huynh, J.Y. Hung, J.-C. Jiang, Methanol adsorption and decomposition on ZnO(101¯0) surface: A density functional theory study, Applied Surface Science, 280 (2013) 219.
5) M.D. Esrafili, R. Nurazar, A density functional theory study on the adsorption and decomposition of methanol on B12N12 fullerene-like nanocage, Superlattices and Microstructures, 67 (2014) 54.
6) Z. Wang, X. Yang, T. Yang, Y. Zhao, F. Wang, Y. Chen, J.H. Zeng, C. Yan, F. Huang, J.-X. Jiang, Dibenzothiophene Dioxide Based Conjugated Microporous Polymers for Visible-Light-Driven Hydrogen Production, ACS Catalysis, 8 (2018) 8590.
7) L. Wang, M.Z. Ertem, R. Kanega, K. Murata, D.J. Szalda, J.T. Muckerman, E. Fujita, Y. Himeda, Additive-Free Ruthenium-Catalyzed Hydrogen Production from Aqueous Formaldehyde with High Efficiency and Selectivity, ACS Catalysis, 8 (2018) 8600.
8) R. Bhosale, S. Kelkar, G. Parte, R. Fernandes, D. Kothari, S. Ogale, NiS1.97: A New Efficient Water Oxidation Catalyst for Photoelectrochemical Hydrogen Generation, ACS Applied Materials & Interfaces, 7 (2015) 20053.
9) Y. Sun, C. Liu, D.C. Grauer, J. Yano, J.R. Long, P. Yang, C.J. Chang, Electrodeposited Cobalt-Sulfide Catalyst for Electrochemical and Photoelectrochemical Hydrogen Generation from Water, Journal of the American Chemical Society, 135 (2013) 17699.
10) M. Jacoby, HYDROGEN FROM SUN AND WATER, Chemical & Engineering News Archive, 87 (2009) 7.
11) S. Fang, Z. Sun, Y.H. Hu, Insights into the Thermo-Photo Catalytic Production of Hydrogen from Water on a Low-Cost NiOx-Loaded TiO2 Catalyst, ACS Catalysis, 9 (2019) 5047.
12) M.Y. Zu, P.F. Liu, C. Wang, Y. Wang, L.R. Zheng, B. Zhang, H. Zhao, H.G. Yang, Bimetallic Carbide as a Stable Hydrogen Evolution Catalyst in Harsh Acidic Water, ACS Energy Letters, 3 (2018) 78.
13)
Z. Jiang,
M. Li,
T. Yan,
T. Fang,Decomposition of H
2O on clean and oxygen-covered Au (1 0 0) surface: A DFT study, Applied Surface Science, 315 (2014) 16.
14)
R. P. Ren,
Y. C. Zhang,
S. Liu,
Z. J. Zuo,
Y. K. Lv,DFT studies of the methanol decomposition mechanism on the H
2O/Cu(110) and OH pre-adsorbed H
2O/Cu(110) interfaces: Comparison with the clean Cu(110) surface, International Journal of Hydrogen Energy, 41 (2016) 2411.
16) M. Jacoby, Single-atom catalyst drives key water-splitting step, C&EN Global Enterprise, 96 (2018) 8.
17) Y. Li, L.A. Zhang, Y. Qin, F. Chu, Y. Kong, Y. Tao, Y. Li, Y. Bu, D. Ding, M. Liu, Crystallinity Dependence of Ruthenium Nanocatalyst toward Hydrogen Evolution Reaction, ACS Catalysis, 8 (2018) 5714.
18) S. Osuna, M. Torrent-Sucarrat, M. Solà, P. Geerlings, C.P. Ewels, G.V. Lier, Reaction Mechanisms for Graphene and Carbon Nanotube Fluorination, The Journal of Physical Chemistry C, 114 (2010) 3340.
19) W. Xiong, F. Du, Y. Liu, A. Perez, M. Supp, T.S. Ramakrishnan, L. Dai, L. Jiang, 3-D Carbon Nanotube Structures Used as High Performance Catalyst for Oxygen Reduction Reaction, Journal of the American Chemical Society, 132 (2010) 15839.
20)
S. Sh. Vedaei,
E. Nadimi, Gas sensing properties of CNT-BNNT-CNT nanostructures: A first principles study, Applied Surface Science, 470 (2019) 933.
21)
G. Woo, K.
G. Kim, Behavior of H
2O molecule in carbon nanotube/boron nitride nanotube heterostructure, Current Applied Physics, 19 (2019) 675.
22) T.-L. Wu, C.-H. Yeh, W.-T. Hsiao, P.-Y. Huang, M.-J. Huang, Y.-H. Chiang, C.-H. Cheng, R.-S. Liu, P.-W. Chiu, High-Performance Organic Light-Emitting Diode with Substitutionally Boron-Doped Graphene Anode, ACS Applied Materials & Interfaces, 9 (2017) 14998.
23) Y. Wang, Y. Shao, D.W. Matson, J. Li, Y. Lin, Nitrogen-Doped Graphene and Its Application in Electrochemical Biosensing, ACS Nano, 4 (2010) 1790.
24) D.Y. Usachov, A.V. Fedorov, O.Y. Vilkov, A.E. Petukhov, A.G. Rybkin, A. Ernst, M.M. Otrokov, E.V. Chulkov, I.I. Ogorodnikov, M.V. Kuznetsov, L.V. Yashina, E.Y. Kataev, A.V. Erofeevskaya, V.Y. Voroshnin, V.K. Adamchuk, C. Laubschat, D.V. Vyalikh, Large-Scale Sublattice Asymmetry in Pure and Boron-Doped Graphene, Nano Letters, 16 (2016) 4535.
25) I. Maity, K. Ghosh, H. Rahaman and P. Bhattacharyya, Selectivity Tuning of Graphene Oxide Based Reliable Gas Sensor Devices by Tailoring the Oxygen Functional Groups: A DFT Study Based Approach, IEEE Transactions on Device and Materials Reliability, 17 (2017) 738.
26)
M. D. Esrafili,
R. Nurazar,
E. Vessally, Application of Si‐doped graphene as a metal‐free catalyst for decomposition of formic acid: A theoretical study, Internatinal Journal of Quantum Chemistry, 115 (2015) 1153.
26) M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, N. J. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, D. J. Fox. Gaussian 09. Gaussian, Inc., Wallingford, CT, USA, 2009.
)
)