Precision Catalysis in Dehydrogenation of Liquid Organic Hydrogen Carriers: Molecular Structure-Geometry-Electronic Interplay for Enhanced Hydrogen Evolution
Yongxiao Tuo , Jingying Qu , Huailu Sun , Hongwei Gai , Xiangyuan Qu , Junlun Zhu , Xiaohui Sun , De Chen , Xiang Feng
Carbon Energy ›› 2026, Vol. 8 ›› Issue (3) : e70146
The advancement of hydrogen-based energy systems necessitates innovative solutions for safe, efficient hydrogen storage and transportation. Liquid organic hydrogen carriers (LOHCs) emerge as a transformative technology by combining high hydrogen capacity, excellent stability, and seamless integration with existing fuel infrastructure, enabling large-scale, long-distance hydrogen logistics. Despite these merits, challenges in dehydrogenation kinetics and catalyst instability impede practical deployment. Herein, we present a comprehensive mechanistic review of dehydrogenation pathways across diverse LOHC platforms, including cyclohexane, methylcyclohexane, decalin, dodecahydro-N-ethylcarbazole, perhydro-dibenzyltoluene/benzyltoluene, bicyclohexyl, and indole-based LOHCs. Compared with previous reviews, this study integrates geometric and electronic effects across multiple LOHC systems to identify cross-cutting structure–activity principles. Building on this framework, it further reveals reactant-dependent rules for active-site regulation, where the molecular architecture of hydrogen carriers critically determines the required catalyst characteristics. This perspective establishes a unified framework that links molecular descriptors to coordination-specific active sites, thereby advancing precision catalyst design for next-generation LOHC technologies.
electronic effect / geometric effect / LOHC dehydrogenation / metal catalyst / structure–performance relationship
| [1] |
|
| [2] |
|
| [3] |
|
| [4] |
|
| [5] |
|
| [6] |
|
| [7] |
|
| [8] |
|
| [9] |
|
| [10] |
|
| [11] |
|
| [12] |
|
| [13] |
|
| [14] |
|
| [15] |
|
| [16] |
|
| [17] |
|
| [18] |
|
| [19] |
|
| [20] |
|
| [21] |
|
| [22] |
|
| [23] |
|
| [24] |
|
| [25] |
|
| [26] |
|
| [27] |
|
| [28] |
|
| [29] |
|
| [30] |
|
| [31] |
|
| [32] |
|
| [33] |
|
| [34] |
|
| [35] |
|
| [36] |
|
| [37] |
|
| [38] |
|
| [39] |
|
| [40] |
|
| [41] |
|
| [42] |
|
| [43] |
|
| [44] |
|
| [45] |
|
| [46] |
|
| [47] |
|
| [48] |
|
| [49] |
|
| [50] |
|
| [51] |
|
| [52] |
|
| [53] |
|
| [54] |
|
| [55] |
|
| [56] |
|
| [57] |
|
| [58] |
|
| [59] |
|
| [60] |
|
| [61] |
|
| [62] |
|
| [63] |
|
| [64] |
|
| [65] |
|
| [66] |
|
| [67] |
|
| [68] |
|
| [69] |
|
| [70] |
|
| [71] |
|
| [72] |
|
| [73] |
|
| [74] |
|
| [75] |
|
| [76] |
|
| [77] |
|
| [78] |
|
| [79] |
|
| [80] |
|
| [81] |
|
| [82] |
|
| [83] |
|
| [84] |
|
| [85] |
|
| [86] |
|
| [87] |
|
| [88] |
|
| [89] |
|
| [90] |
|
| [91] |
|
| [92] |
|
| [93] |
|
| [94] |
|
| [95] |
|
| [96] |
|
| [97] |
|
| [98] |
|
| [99] |
|
| [100] |
|
| [101] |
|
| [102] |
|
| [103] |
|
| [104] |
|
| [105] |
|
| [106] |
|
| [107] |
|
| [108] |
|
| [109] |
|
| [110] |
|
| [111] |
|
| [112] |
|
| [113] |
|
| [114] |
|
| [115] |
|
| [116] |
|
| [117] |
|
| [118] |
|
| [119] |
|
| [120] |
|
| [121] |
|
| [122] |
|
| [123] |
|
| [124] |
|
| [125] |
|
| [126] |
|
| [127] |
|
| [128] |
|
| [129] |
|
| [130] |
|
| [131] |
|
| [132] |
|
| [133] |
|
| [134] |
|
| [135] |
|
| [136] |
|
| [137] |
|
| [138] |
|
| [139] |
|
| [140] |
|
| [141] |
|
| [142] |
|
| [143] |
|
| [144] |
|
| [145] |
|
| [146] |
|
| [147] |
|
| [148] |
|
| [149] |
|
| [150] |
|
| [151] |
|
| [152] |
|
| [153] |
|
| [154] |
|
| [155] |
|
| [156] |
|
| [157] |
|
| [158] |
|
| [159] |
|
| [160] |
|
| [161] |
|
| [162] |
|
| [163] |
|
| [164] |
|
| [165] |
|
| [166] |
|
| [167] |
|
| [168] |
|
| [169] |
|
| [170] |
|
| [171] |
|
| [172] |
|
| [173] |
|
| [174] |
|
| [175] |
|
| [176] |
|
| [177] |
|
| [178] |
|
| [179] |
|
| [180] |
|
| [181] |
|
| [182] |
|
| [183] |
|
| [184] |
|
| [185] |
|
| [186] |
|
| [187] |
|
| [188] |
|
| [189] |
|
| [190] |
|
| [191] |
|
| [192] |
|
| [193] |
|
| [194] |
|
| [195] |
|
| [196] |
|
| [197] |
|
| [198] |
|
| [199] |
|
| [200] |
|
| [201] |
|
| [202] |
|
| [203] |
|
| [204] |
|
| [205] |
|
| [206] |
|
| [207] |
|
| [208] |
|
| [209] |
|
| [210] |
|
| [211] |
|
| [212] |
|
| [213] |
|
| [214] |
|
| [215] |
|
| [216] |
|
| [217] |
|
| [218] |
|
| [219] |
|
| [220] |
|
| [221] |
|
| [222] |
|
| [223] |
|
| [224] |
|
2026 The Author(s). Carbon Energy published by Wenzhou University and John Wiley & Sons Australia, Ltd.
/
| 〈 |
|
〉 |